N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide

C21H17N7O — CID 118450800

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1ncccc1-c1ccncc1
InChIInChI=1S/C21H17N7O/c29-21(19-16(3-2-10-23-19)14-8-11-22-12-9-14)26-18-5-1-4-17(25-18)20-27-24-13-28(20)15-6-7-15/h1-5,8-13,15H,6-7H2,(H,25,26,29)
InChIKeyDGULWCQULUXLLV-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.38
Rot. Bonds5

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 118450800) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide
PubChem CID118450800
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)n1)c1ncccc1-c1ccncc1
InChIInChI=1S/C21H17N7O/c29-21(19-16(3-2-10-23-19)14-8-11-22-12-9-14)26-18-5-1-4-17(25-18)20-27-24-13-28(20)15-6-7-15/h1-5,8-13,15H,6-7H2,(H,25,26,29)
InChIKeyDGULWCQULUXLLV-UHFFFAOYSA-N
XLogP3.38
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135347920
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(5-phenyl-1,2-dihydroimidazol-3-yl)pyridine-2-carboxamide
CID 66900603
phenyl N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate
CID 171484382
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenoxybenzamide
CID 135347965
4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
CID 58102941
8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide
CID 135307267
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(5-propan-2-yl-1,2-dihydroimidazol-3-yl)benzamide
CID 155359333
N-[3-[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365505
6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 118450793
4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 66900294
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide (CID 118450800) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1ncccc1-c1ccncc1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is DGULWCQULUXLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c29-21(19-16(3-2-10-23-19)14-8-11-22-12-9-14)26-18-5-1-4-17(25-18)20-27-24-13-28(20)15-6-7-15/h1-5,8-13,15H,6-7H2,(H,25,26,29).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 118450800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).