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

C25H23N7O — CID 58102941

IUPAC4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nncn3C3CC3)n2)n1
InChIInChI=1S/C25H23N7O/c1-15-11-18(17-7-10-20(26-13-17)16-5-6-16)12-22(28-15)25(33)30-23-4-2-3-21(29-23)24-31-27-14-32(24)19-8-9-19/h2-4,7,10-14,16,19H,5-6,8-9H2,1H3,(H,29,30,33)
InChIKeyNFIOSFBNSJSRAA-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.57
Rot. Bonds6

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

4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide (PubChem CID 58102941) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
PubChem CID58102941
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nncn3C3CC3)n2)n1
InChIInChI=1S/C25H23N7O/c1-15-11-18(17-7-10-20(26-13-17)16-5-6-16)12-22(28-15)25(33)30-23-4-2-3-21(29-23)24-31-27-14-32(24)19-8-9-19/h2-4,7,10-14,16,19H,5-6,8-9H2,1H3,(H,29,30,33)
InChIKeyNFIOSFBNSJSRAA-UHFFFAOYSA-N
XLogP4.57
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide (CID 58102941) is 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide is Cc1cc(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nncn3C3CC3)n2)n1.
What is the InChIKey of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide?
The InChIKey is NFIOSFBNSJSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-15-11-18(17-7-10-20(26-13-17)16-5-6-16)12-22(28-15)25(33)30-23-4-2-3-21(29-23)24-31-27-14-32(24)19-8-9-19/h2-4,7,10-14,16,19H,5-6,8-9H2,1H3,(H,29,30,33).
What are the key properties of 4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide?
4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 4.57, 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-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 58102941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).