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

C20H17N7O — CID 70802176

IUPAC4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C20H17N7O/c28-20(25-15-3-1-2-14(8-15)19-22-11-24-26-19)17-9-16(6-7-21-17)27-10-18(23-12-27)13-4-5-13/h1-3,6-13H,4-5H2,(H,25,28)(H,22,24,26)
InChIKeySFPKVELVHRDGDX-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.18
Rot. Bonds5

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

4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 70802176) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID70802176
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C20H17N7O/c28-20(25-15-3-1-2-14(8-15)19-22-11-24-26-19)17-9-16(6-7-21-17)27-10-18(23-12-27)13-4-5-13/h1-3,6-13H,4-5H2,(H,25,28)(H,22,24,26)
InChIKeySFPKVELVHRDGDX-UHFFFAOYSA-N
XLogP3.18
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58102989
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136512861
4-(4-nitroimidazol-1-yl)-N-phenylpyridine-2-carboxamide
CID 45028411
4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 161018380
4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 139581298
4-(4-cyclopropylimidazol-1-yl)-N-[(6R)-6-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 139581353
5-morpholin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
CID 138989510
3-(imidazol-1-ylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 122137166
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 129381815

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide (CID 70802176) is 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2ncn[nH]2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is SFPKVELVHRDGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c28-20(25-15-3-1-2-14(8-15)19-22-11-24-26-19)17-9-16(6-7-21-17)27-10-18(23-12-27)13-4-5-13/h1-3,6-13H,4-5H2,(H,25,28)(H,22,24,26).
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 70802176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).