(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide

C57H80N10O4 — CID 167540727

IUPAC(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C4CCCN(C)C4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C4CCCNC4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C29H41N5O2.C28H39N5O2/c1-4-22-9-11-34(19-22)29(35)30-25-8-7-21(2)26(18-25)24-16-27(23-6-5-10-32(3)20-23)31-28(17-24)33-12-14-36-15-13-33;1-3-21-8-10-33(19-21)28(34)30-24-7-6-20(2)25(17-24)23-15-26(22-5-4-9-29-18-22)31-27(16-23)32-11-13-35-14-12-32/h7-8,16-18,22-23H,4-6,9-15,19-20H2,1-3H3,(H,30,35);6-7,15-17,21-22,29H,3-5,8-14,18-19H2,1-2H3,(H,30,34)/t22-,23?;21-,22?/m11/s1
InChIKeyBDTMEUKMHJWULL-BYCNGATPSA-N
MW969.33 g/mol
LogP9.59
Rot. Bonds10

About (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide

(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 167540727) has the molecular formula C57H80N10O4 and a molecular weight of 969.33 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID167540727
Molecular FormulaC57H80N10O4
Molecular Weight969.33 g/mol
Exact Mass968.64
IUPAC Name(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C4CCCN(C)C4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C4CCCNC4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C29H41N5O2.C28H39N5O2/c1-4-22-9-11-34(19-22)29(35)30-25-8-7-21(2)26(18-25)24-16-27(23-6-5-10-32(3)20-23)31-28(17-24)33-12-14-36-15-13-33;1-3-21-8-10-33(19-21)28(34)30-24-7-6-20(2)25(17-24)23-15-26(22-5-4-9-29-18-22)31-27(16-23)32-11-13-35-14-12-32/h7-8,16-18,22-23H,4-6,9-15,19-20H2,1-3H3,(H,30,35);6-7,15-17,21-22,29H,3-5,8-14,18-19H2,1-2H3,(H,30,34)/t22-,23?;21-,22?/m11/s1
InChIKeyBDTMEUKMHJWULL-BYCNGATPSA-N
XLogP9.59
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.33
LogP ≤ 59.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-methyl-3-(2-morpholin-4-yl-6-pyrrolidin-3-yl-4-pyridinyl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709635
4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 164970643
(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 164983361
(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propanoyl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 165029548
(3R)-N-[3-[2-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 159491474
N-[4-methyl-3-[2-morpholin-4-yl-6-[(3R)-pyrrolidin-3-yl]oxy-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160895
N-[3-[2-(tert-butylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468212
(3S)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764852
(3S)-N-[3-[2-(hydroxymethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764742
tert-butyl N-[(3S)-1-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-methylpyrrolidin-3-yl]carbamate
CID 157299416
N-[4-methyl-3-[2-morpholin-4-yl-6-(1H-pyrazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709617
(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 162025467

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide (CID 167540727) is (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C4CCCN(C)C4)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C4CCCNC4)nc(N4CCOCC4)c3)c2)C1.
What is the InChIKey of (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is BDTMEUKMHJWULL-BYCNGATPSA-N. The full InChI is InChI=1S/C29H41N5O2.C28H39N5O2/c1-4-22-9-11-34(19-22)29(35)30-25-8-7-21(2)26(18-25)24-16-27(23-6-5-10-32(3)20-23)31-28(17-24)33-12-14-36-15-13-33;1-3-21-8-10-33(19-21)28(34)30-24-7-6-20(2)25(17-24)23-15-26(22-5-4-9-29-18-22)31-27(16-23)32-11-13-35-14-12-32/h7-8,16-18,22-23H,4-6,9-15,19-20H2,1-3H3,(H,30,35);6-7,15-17,21-22,29H,3-5,8-14,18-19H2,1-2H3,(H,30,34)/t22-,23?;21-,22?/m11/s1.
What are the key properties of (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 969.33 g/mol, XLogP of 9.59, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167540727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).