N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide

C30H27N7O3 — CID 164626260

IUPACN-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccnc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C30H27N7O3/c1-19-23(5-2-6-24(19)36-29(38)21-4-3-11-31-17-21)25-16-26-27(33-18-32-26)28(35-25)34-22-9-7-20(8-10-22)30(39)37-12-14-40-15-13-37/h2-11,16-18H,12-15H2,1H3,(H,32,33)(H,34,35)(H,36,38)
InChIKeyWLFXHPGDCRVXQY-UHFFFAOYSA-N
MW533.59 g/mol
LogP4.80
Rot. Bonds6

About N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide

N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide (PubChem CID 164626260) has the molecular formula C30H27N7O3 and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide
PubChem CID164626260
Molecular FormulaC30H27N7O3
Molecular Weight533.59 g/mol
Exact Mass533.22
IUPAC NameN-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2cccnc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C30H27N7O3/c1-19-23(5-2-6-24(19)36-29(38)21-4-3-11-31-17-21)25-16-26-27(33-18-32-26)28(35-25)34-22-9-7-20(8-10-22)30(39)37-12-14-40-15-13-37/h2-11,16-18H,12-15H2,1H3,(H,32,33)(H,34,35)(H,36,38)
InChIKeyWLFXHPGDCRVXQY-UHFFFAOYSA-N
XLogP4.80
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide (CID 164626260) is N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide is Cc1c(NC(=O)c2cccnc2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is WLFXHPGDCRVXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O3/c1-19-23(5-2-6-24(19)36-29(38)21-4-3-11-31-17-21)25-16-26-27(33-18-32-26)28(35-25)34-22-9-7-20(8-10-22)30(39)37-12-14-40-15-13-37/h2-11,16-18H,12-15H2,1H3,(H,32,33)(H,34,35)(H,36,38).
What are the key properties of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide?
N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164626260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).