N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

C26H35N5O3 — CID 166768544

IUPACN-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2)cc1-c1cc(NC2(C)CC(O)C2)nc(N2CCOCC2)c1
InChIInChI=1S/C26H35N5O3/c1-18-5-6-20(27-25(33)31-7-3-4-8-31)15-22(18)19-13-23(29-26(2)16-21(32)17-26)28-24(14-19)30-9-11-34-12-10-30/h5-6,13-15,21,32H,3-4,7-12,16-17H2,1-2H3,(H,27,33)(H,28,29)
InChIKeyJNJOBBPDOXOWDN-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 166768544) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID166768544
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC NameN-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC2)cc1-c1cc(NC2(C)CC(O)C2)nc(N2CCOCC2)c1
InChIInChI=1S/C26H35N5O3/c1-18-5-6-20(27-25(33)31-7-3-4-8-31)15-22(18)19-13-23(29-26(2)16-21(32)17-26)28-24(14-19)30-9-11-34-12-10-30/h5-6,13-15,21,32H,3-4,7-12,16-17H2,1-2H3,(H,27,33)(H,28,29)
InChIKeyJNJOBBPDOXOWDN-UHFFFAOYSA-N
XLogP3.85
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 162764866
N-[3-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155700189
(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-[3-[2-(tert-butylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468212
4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 164970643
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrrolidine-1-carboxamide
CID 155700271
N-[3-[2-(2-hydroxypropylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 166758628
(3S)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764852
3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155160644
(3S)-N-[3-[2-(3-hydroxy-3-methylcyclobutyl)oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160924
N-[3-[2-[[(2S)-2,3-dihydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468113
(3S)-N-[3-[2-(hydroxymethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764742

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (CID 166768544) is N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC2)cc1-c1cc(NC2(C)CC(O)C2)nc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is JNJOBBPDOXOWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-18-5-6-20(27-25(33)31-7-3-4-8-31)15-22(18)19-13-23(29-26(2)16-21(32)17-26)28-24(14-19)30-9-11-34-12-10-30/h5-6,13-15,21,32H,3-4,7-12,16-17H2,1-2H3,(H,27,33)(H,28,29).
What are the key properties of N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3-hydroxy-1-methylcyclobutyl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 166768544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).