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

C25H19N7O — CID 58103059

IUPACN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccnc(-c2nncn2C2CC2)c1)c1cc(-c2cnc3ccccc3c2)ccn1
InChIInChI=1S/C25H19N7O/c33-25(30-19-8-10-26-22(13-19)24-31-29-15-32(24)20-5-6-20)23-12-16(7-9-27-23)18-11-17-3-1-2-4-21(17)28-14-18/h1-4,7-15,20H,5-6H2,(H,26,30,33)
InChIKeyLOPBPYGKLPLRMH-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.54
Rot. Bonds5

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

N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide (PubChem CID 58103059) has the molecular formula C25H19N7O and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide
PubChem CID58103059
Molecular FormulaC25H19N7O
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccnc(-c2nncn2C2CC2)c1)c1cc(-c2cnc3ccccc3c2)ccn1
InChIInChI=1S/C25H19N7O/c33-25(30-19-8-10-26-22(13-19)24-31-29-15-32(24)20-5-6-20)23-12-16(7-9-27-23)18-11-17-3-1-2-4-21(17)28-14-18/h1-4,7-15,20H,5-6H2,(H,26,30,33)
InChIKeyLOPBPYGKLPLRMH-UHFFFAOYSA-N
XLogP4.54
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide (CID 58103059) is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide is O=C(Nc1ccnc(-c2nncn2C2CC2)c1)c1cc(-c2cnc3ccccc3c2)ccn1.
What is the InChIKey of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide?
The InChIKey is LOPBPYGKLPLRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O/c33-25(30-19-8-10-26-22(13-19)24-31-29-15-32(24)20-5-6-20)23-12-16(7-9-27-23)18-11-17-3-1-2-4-21(17)28-14-18/h1-4,7-15,20H,5-6H2,(H,26,30,33).
What are the key properties of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide?
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 58103059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).