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

C16H17N7O — CID 95873248

IUPAC(4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C16H17N7O/c24-16(15-14-13(5-6-18-15)20-9-21-14)19-7-11-1-3-12(4-2-11)23-10-17-8-22-23/h1-4,8-10,15,18H,5-7H2,(H,19,24)(H,20,21)/t15-/m0/s1
InChIKeyVPDIOEHNHYZLDM-HNNXBMFYSA-N
MW323.36 g/mol
LogP0.49
Rot. Bonds4

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

(4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 95873248) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID95873248
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C16H17N7O/c24-16(15-14-13(5-6-18-15)20-9-21-14)19-7-11-1-3-12(4-2-11)23-10-17-8-22-23/h1-4,8-10,15,18H,5-7H2,(H,19,24)(H,20,21)/t15-/m0/s1
InChIKeyVPDIOEHNHYZLDM-HNNXBMFYSA-N
XLogP0.49
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 95873248) is (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1NCCc2[nH]cnc21.
What is the InChIKey of (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is VPDIOEHNHYZLDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-16(15-14-13(5-6-18-15)20-9-21-14)19-7-11-1-3-12(4-2-11)23-10-17-8-22-23/h1-4,8-10,15,18H,5-7H2,(H,19,24)(H,20,21)/t15-/m0/s1.
What are the key properties of (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 95873248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).