2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

C27H28N4O5 — CID 134609356

IUPAC2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C#N)c2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1
InChIInChI=1S/C27H28N4O5/c1-17-2-3-21(30-27(34)19-4-7-29-22(10-19)14-28)13-24(17)20-11-25(18-5-8-35-9-6-18)31-26(12-20)36-16-23(33)15-32/h2-4,7,10-13,18,23,32-33H,5-6,8-9,15-16H2,1H3,(H,30,34)/t23-/m1/s1
InChIKeyNRMZZCUAZLNBRP-HSZRJFAPSA-N
MW488.54 g/mol
LogP3.20
Rot. Bonds8

About 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 134609356) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID134609356
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C#N)c2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1
InChIInChI=1S/C27H28N4O5/c1-17-2-3-21(30-27(34)19-4-7-29-22(10-19)14-28)13-24(17)20-11-25(18-5-8-35-9-6-18)31-26(12-20)36-16-23(33)15-32/h2-4,7,10-13,18,23,32-33H,5-6,8-9,15-16H2,1H3,(H,30,34)/t23-/m1/s1
InChIKeyNRMZZCUAZLNBRP-HSZRJFAPSA-N
XLogP3.20
TPSA137.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 134609653
2-cyclopropyl-N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 134380057
6-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
CID 90460796
N-[4-methyl-3-[2-morpholin-4-yl-6-[(3S)-4,4,4-trifluoro-3-hydroxybut-1-ynyl]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfane
CID 165107587
N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 135133415
N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
CID 90457250
5-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 160981307
2-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 90463373
N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 162767272
2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609473
N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 134609566
N-[3-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155700189

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 134609356) is 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.
What is the InChIKey of 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is NRMZZCUAZLNBRP-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-17-2-3-21(30-27(34)19-4-7-29-22(10-19)14-28)13-24(17)20-11-25(18-5-8-35-9-6-18)31-26(12-20)36-16-23(33)15-32/h2-4,7,10-13,18,23,32-33H,5-6,8-9,15-16H2,1H3,(H,30,34)/t23-/m1/s1.
What are the key properties of 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 134609356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).