N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

C15H14N6O — CID 51493984

IUPACN-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ccncc1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H14N6O/c1-10(18-15(22)12-4-8-17-9-5-12)13-19-14(21-20-13)11-2-6-16-7-3-11/h2-10H,1H3,(H,18,22)(H,19,20,21)/t10-/m1/s1
InChIKeyFMWXTDBVHKXMTH-SNVBAGLBSA-N
MW294.32 g/mol
LogP1.75
Rot. Bonds4

About N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 51493984) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID51493984
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC NameN-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ccncc1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H14N6O/c1-10(18-15(22)12-4-8-17-9-5-12)13-19-14(21-20-13)11-2-6-16-7-3-11/h2-10H,1H3,(H,18,22)(H,19,20,21)/t10-/m1/s1
InChIKeyFMWXTDBVHKXMTH-SNVBAGLBSA-N
XLogP1.75
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (CID 51493984) is N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is C[C@@H](NC(=O)c1ccncc1)c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is FMWXTDBVHKXMTH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N6O/c1-10(18-15(22)12-4-8-17-9-5-12)13-19-14(21-20-13)11-2-6-16-7-3-11/h2-10H,1H3,(H,18,22)(H,19,20,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 51493984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).