(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

C29H35N5O3 — CID 164957348

IUPAC(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C29H35N5O3/c1-4-21-8-10-34(19-21)29(35)31-24-6-5-20(2)25(18-24)23-15-26(22-7-9-30-28(17-22)36-3)32-27(16-23)33-11-13-37-14-12-33/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35)/t21-/m1/s1
InChIKeyYRLGTCFOACRBIV-OAQYLSRUSA-N
MW501.63 g/mol
LogP5.23
Rot. Bonds6

About (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 164957348) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID164957348
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C29H35N5O3/c1-4-21-8-10-34(19-21)29(35)31-24-6-5-20(2)25(18-24)23-15-26(22-7-9-30-28(17-22)36-3)32-27(16-23)33-11-13-37-14-12-33/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35)/t21-/m1/s1
InChIKeyYRLGTCFOACRBIV-OAQYLSRUSA-N
XLogP5.23
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (CID 164957348) is (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(OC)c4)nc(N4CCOCC4)c3)c2)C1.
What is the InChIKey of (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is YRLGTCFOACRBIV-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-4-21-8-10-34(19-21)29(35)31-24-6-5-20(2)25(18-24)23-15-26(22-7-9-30-28(17-22)36-3)32-27(16-23)33-11-13-37-14-12-33/h5-7,9,15-18,21H,4,8,10-14,19H2,1-3H3,(H,31,35)/t21-/m1/s1.
What are the key properties of (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
(3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-[3-[2-(2-methoxy-4-pyridinyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 164957348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).