N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide

C30H28ClN5O2 — CID 23730121

IUPACN-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)ncc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C30H28ClN5O2/c31-22-5-1-21(2-6-22)28(37)33-23-7-3-20(4-8-23)27-34-24-12-25(32-16-26(24)35-27)29(38)36-30-13-17-9-18(14-30)11-19(10-17)15-30/h1-8,12,16-19H,9-11,13-15H2,(H,33,37)(H,34,35)(H,36,38)
InChIKeyHCQLCIUBUYTRTD-UHFFFAOYSA-N
MW526.04 g/mol
LogP6.23
Rot. Bonds5

About N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 23730121) has the molecular formula C30H28ClN5O2 and a molecular weight of 526.04 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID23730121
Molecular FormulaC30H28ClN5O2
Molecular Weight526.04 g/mol
Exact Mass525.19
IUPAC NameN-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)ncc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C30H28ClN5O2/c31-22-5-1-21(2-6-22)28(37)33-23-7-3-20(4-8-23)27-34-24-12-25(32-16-26(24)35-27)29(38)36-30-13-17-9-18(14-30)11-19(10-17)15-30/h1-8,12,16-19H,9-11,13-15H2,(H,33,37)(H,34,35)(H,36,38)
InChIKeyHCQLCIUBUYTRTD-UHFFFAOYSA-N
XLogP6.23
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.04
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 23730121) is N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1ccc(-c2nc3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)ncc3[nH]2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is HCQLCIUBUYTRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O2/c31-22-5-1-21(2-6-22)28(37)33-23-7-3-20(4-8-23)27-34-24-12-25(32-16-26(24)35-27)29(38)36-30-13-17-9-18(14-30)11-19(10-17)15-30/h1-8,12,16-19H,9-11,13-15H2,(H,33,37)(H,34,35)(H,36,38).
What are the key properties of N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 526.04 g/mol, XLogP of 6.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 23730121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).