N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

C25H22N8O2 — CID 58973391

IUPACN-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C25H22N8O2/c34-24(21-8-7-18(16-33-15-12-29-31-33)19-4-1-2-5-20(19)21)30-22-6-3-9-27-23(22)25(35)28-11-14-32-13-10-26-17-32/h1-10,12-13,15,17H,11,14,16H2,(H,28,35)(H,30,34)
InChIKeyHJOWJBUMQXTJNB-UHFFFAOYSA-N
MW466.51 g/mol
LogP2.75
Rot. Bonds8

About N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide

N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 58973391) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID58973391
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC NameN-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
InChIInChI=1S/C25H22N8O2/c34-24(21-8-7-18(16-33-15-12-29-31-33)19-4-1-2-5-20(19)21)30-22-6-3-9-27-23(22)25(35)28-11-14-32-13-10-26-17-32/h1-10,12-13,15,17H,11,14,16H2,(H,28,35)(H,30,34)
InChIKeyHJOWJBUMQXTJNB-UHFFFAOYSA-N
XLogP2.75
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(dimethylamino)propyl]-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide;methyl 3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxylate
CID 161407564
N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973420
methyl 2-[[6-(cyclobutylmethylcarbamoyl)-5-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-2-pyridinyl]oxy]acetate
CID 16737680
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387
N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16735933
N-(cyclobutylmethyl)-3-[[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16736362
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(pyrazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 158282571
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973457
4-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2,6-dicarboxamide
CID 68977285
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
CID 110205681

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide (CID 58973391) is N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is O=C(NCCn1ccnc1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is HJOWJBUMQXTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2/c34-24(21-8-7-18(16-33-15-12-29-31-33)19-4-1-2-5-20(19)21)30-22-6-3-9-27-23(22)25(35)28-11-14-32-13-10-26-17-32/h1-10,12-13,15,17H,11,14,16H2,(H,28,35)(H,30,34).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide?
N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 58973391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).