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

C14H11N5O — CID 136525639

IUPACN-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1ccccn1
InChIInChI=1S/C14H11N5O/c20-14(12-6-1-2-7-15-12)18-11-5-3-4-10(8-11)13-16-9-17-19-13/h1-9H,(H,18,20)(H,16,17,19)
InChIKeyPHCAUKTUOHSNSJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.12
Rot. Bonds3

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

N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 136525639) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID136525639
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1ccccn1
InChIInChI=1S/C14H11N5O/c20-14(12-6-1-2-7-15-12)18-11-5-3-4-10(8-11)13-16-9-17-19-13/h1-9H,(H,18,20)(H,16,17,19)
InChIKeyPHCAUKTUOHSNSJ-UHFFFAOYSA-N
XLogP2.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 67188011
2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136512861
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525651
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 70802176
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525641
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 129381815
3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 122137166
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide (CID 136525639) is N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2ncn[nH]2)c1)c1ccccn1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is PHCAUKTUOHSNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14(12-6-1-2-7-15-12)18-11-5-3-4-10(8-11)13-16-9-17-19-13/h1-9H,(H,18,20)(H,16,17,19).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 136525639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).