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

C29H28N6O2 — CID 11755410

IUPACN-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1)c1ccccn1
InChIInChI=1S/C29H28N6O2/c36-27(22-3-1-2-8-30-22)35-25-12-23-24(16-31-25)34-26(33-23)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,31,35,36)
InChIKeyPNRZMYKMXLVYRU-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.43
Rot. Bonds5

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

N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 11755410) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID11755410
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC NameN-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1)c1ccccn1
InChIInChI=1S/C29H28N6O2/c36-27(22-3-1-2-8-30-22)35-25-12-23-24(16-31-25)34-26(33-23)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,31,35,36)
InChIKeyPNRZMYKMXLVYRU-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 N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide (CID 11755410) is N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide is O=C(Nc1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1)c1ccccn1.
What is the InChIKey of N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is PNRZMYKMXLVYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c36-27(22-3-1-2-8-30-22)35-25-12-23-24(16-31-25)34-26(33-23)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,31,35,36).
What are the key properties of N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide?
N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-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 N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-imidazo[4,5-c]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 11755410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).