N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C27H26N6O3 — CID 69448105

IUPACN-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2=CCN(C(=O)Nc3ncccc3C#N)CC2)cc1
InChIInChI=1S/C27H26N6O3/c1-18-5-10-24(36-2)23(16-18)31-26(34)30-22-8-6-19(7-9-22)20-11-14-33(15-12-20)27(35)32-25-21(17-28)4-3-13-29-25/h3-11,13,16H,12,14-15H2,1-2H3,(H,29,32,35)(H2,30,31,34)
InChIKeyWRACUQCPCLWWQY-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.24
Rot. Bonds5

About N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 69448105) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID69448105
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC NameN-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2=CCN(C(=O)Nc3ncccc3C#N)CC2)cc1
InChIInChI=1S/C27H26N6O3/c1-18-5-10-24(36-2)23(16-18)31-26(34)30-22-8-6-19(7-9-22)20-11-14-33(15-12-20)27(35)32-25-21(17-28)4-3-13-29-25/h3-11,13,16H,12,14-15H2,1-2H3,(H,29,32,35)(H2,30,31,34)
InChIKeyWRACUQCPCLWWQY-UHFFFAOYSA-N
XLogP5.24
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91509829
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495104
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161153
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 46381160
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
N-(2-methoxy-5-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997061

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 69448105) is N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(C)cc1NC(=O)Nc1ccc(C2=CCN(C(=O)Nc3ncccc3C#N)CC2)cc1.
What is the InChIKey of N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is WRACUQCPCLWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-18-5-10-24(36-2)23(16-18)31-26(34)30-22-8-6-19(7-9-22)20-11-14-33(15-12-20)27(35)32-25-21(17-28)4-3-13-29-25/h3-11,13,16H,12,14-15H2,1-2H3,(H,29,32,35)(H2,30,31,34).
What are the key properties of N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 5.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-pyridinyl)-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 69448105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).