N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide

C24H21FN6O — CID 58103060

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCCc1ccc(-c2ccnc(C(=O)Nc3ccc(F)c(-c4nncn4C4CC4)c3)c2)cn1
InChIInChI=1S/C24H21FN6O/c1-2-17-4-3-16(13-27-17)15-9-10-26-22(11-15)24(32)29-18-5-8-21(25)20(12-18)23-30-28-14-31(23)19-6-7-19/h3-5,8-14,19H,2,6-7H2,1H3,(H,29,32)
InChIKeyJWVQUGPQDBPPKO-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.69
Rot. Bonds6

About N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 58103060) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID58103060
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCCc1ccc(-c2ccnc(C(=O)Nc3ccc(F)c(-c4nncn4C4CC4)c3)c2)cn1
InChIInChI=1S/C24H21FN6O/c1-2-17-4-3-16(13-27-17)15-9-10-26-22(11-15)24(32)29-18-5-8-21(25)20(12-18)23-30-28-14-31(23)19-6-7-19/h3-5,8-14,19H,2,6-7H2,1H3,(H,29,32)
InChIKeyJWVQUGPQDBPPKO-UHFFFAOYSA-N
XLogP4.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide (CID 58103060) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide is CCc1ccc(-c2ccnc(C(=O)Nc3ccc(F)c(-c4nncn4C4CC4)c3)c2)cn1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is JWVQUGPQDBPPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-2-17-4-3-16(13-27-17)15-9-10-26-22(11-15)24(32)29-18-5-8-21(25)20(12-18)23-30-28-14-31(23)19-6-7-19/h3-5,8-14,19H,2,6-7H2,1H3,(H,29,32).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluorophenyl]-4-(6-ethyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 58103060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).