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

C24H21N7O — CID 58102917

IUPAC4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2nncn2C2CC2)ccn1)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C24H21N7O/c32-24(21-11-16(7-9-25-21)18-3-6-20(27-13-18)15-1-2-15)29-22-12-17(8-10-26-22)23-30-28-14-31(23)19-4-5-19/h3,6-15,19H,1-2,4-5H2,(H,26,29,32)
InChIKeyRPLFMXSFMDFZIX-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.26
Rot. Bonds6

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

4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 58102917) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID58102917
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2nncn2C2CC2)ccn1)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C24H21N7O/c32-24(21-11-16(7-9-25-21)18-3-6-20(27-13-18)15-1-2-15)29-22-12-17(8-10-26-22)23-30-28-14-31(23)19-4-5-19/h3,6-15,19H,1-2,4-5H2,(H,26,29,32)
InChIKeyRPLFMXSFMDFZIX-UHFFFAOYSA-N
XLogP4.26
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 58102917) is 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cc(-c2nncn2C2CC2)ccn1)c1cc(-c2ccc(C3CC3)nc2)ccn1.
What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is RPLFMXSFMDFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c32-24(21-11-16(7-9-25-21)18-3-6-20(27-13-18)15-1-2-15)29-22-12-17(8-10-26-22)23-30-28-14-31(23)19-4-5-19/h3,6-15,19H,1-2,4-5H2,(H,26,29,32).
What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide?
4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 58102917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).