2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide

C29H28N6O2 — CID 23730122

IUPAC2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1
InChIInChI=1S/C29H28N6O2/c36-27(35-25-3-1-2-8-30-25)23-12-22-24(16-31-23)34-26(33-22)20-4-6-21(7-5-20)32-28(37)29-13-17-9-18(14-29)11-19(10-17)15-29/h1-8,12,16-19H,9-11,13-15H2,(H,32,37)(H,33,34)(H,30,35,36)
InChIKeyNAYCITSQFLROLI-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.43
Rot. Bonds5

About 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide

2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 23730122) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID23730122
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1
InChIInChI=1S/C29H28N6O2/c36-27(35-25-3-1-2-8-30-25)23-12-22-24(16-31-23)34-26(33-22)20-4-6-21(7-5-20)32-28(37)29-13-17-9-18(14-29)11-19(10-17)15-29/h1-8,12,16-19H,9-11,13-15H2,(H,32,37)(H,33,34)(H,30,35,36)
InChIKeyNAYCITSQFLROLI-UHFFFAOYSA-N
XLogP5.43
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 23730122) is 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1ccccn1)c1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1.
What is the InChIKey of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is NAYCITSQFLROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c36-27(35-25-3-1-2-8-30-25)23-12-22-24(16-31-23)34-26(33-22)20-4-6-21(7-5-20)32-28(37)29-13-17-9-18(14-29)11-19(10-17)15-29/h1-8,12,16-19H,9-11,13-15H2,(H,32,37)(H,33,34)(H,30,35,36).
What are the key properties of 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide?
2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 5.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 23730122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).