N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C16H23N7O — CID 70736372

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)C1NCCc2[nH]cnc21
InChIInChI=1S/C16H23N7O/c24-16(15-14-12(6-7-17-15)19-9-20-14)18-8-13-22-21-10-23(13)11-4-2-1-3-5-11/h9-11,15,17H,1-8H2,(H,18,24)(H,19,20)
InChIKeyWQFNEAZPIFPXOQ-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.01
Rot. Bonds4

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70736372) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70736372
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCc1nncn1C1CCCCC1)C1NCCc2[nH]cnc21
InChIInChI=1S/C16H23N7O/c24-16(15-14-12(6-7-17-15)19-9-20-14)18-8-13-22-21-10-23(13)11-4-2-1-3-5-11/h9-11,15,17H,1-8H2,(H,18,24)(H,19,20)
InChIKeyWQFNEAZPIFPXOQ-UHFFFAOYSA-N
XLogP1.01
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70736372) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(NCc1nncn1C1CCCCC1)C1NCCc2[nH]cnc21.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is WQFNEAZPIFPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c24-16(15-14-12(6-7-17-15)19-9-20-14)18-8-13-22-21-10-23(13)11-4-2-1-3-5-11/h9-11,15,17H,1-8H2,(H,18,24)(H,19,20).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70736372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).