N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide

C21H17N7O2 — CID 47057346

IUPACN-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)nc1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C21H17N7O2/c29-20(25-12-15-4-9-19(24-11-15)28-14-22-13-26-28)16-5-7-17(8-6-16)27-21(30)18-3-1-2-10-23-18/h1-11,13-14H,12H2,(H,25,29)(H,27,30)
InChIKeyMYMSMUIIXOARFC-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.24
Rot. Bonds6

About N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide

N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 47057346) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide
PubChem CID47057346
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)nc1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C21H17N7O2/c29-20(25-12-15-4-9-19(24-11-15)28-14-22-13-26-28)16-5-7-17(8-6-16)27-21(30)18-3-1-2-10-23-18/h1-11,13-14H,12H2,(H,25,29)(H,27,30)
InChIKeyMYMSMUIIXOARFC-UHFFFAOYSA-N
XLogP2.24
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 106385679
4-oxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036236
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
2-morpholin-4-yl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 47041480
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112813528
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 104741251
5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 154841045
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091815
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide (CID 47057346) is N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide is O=C(NCc1ccc(-n2cncn2)nc1)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is MYMSMUIIXOARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c29-20(25-12-15-4-9-19(24-11-15)28-14-22-13-26-28)16-5-7-17(8-6-16)27-21(30)18-3-1-2-10-23-18/h1-11,13-14H,12H2,(H,25,29)(H,27,30).
What are the key properties of N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 47057346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).