1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

C29H31N7O2 — CID 146430988

About 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 146430988) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 146430988
• Molecular Formula: C29H31N7O2
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.25
• IUPAC Name: 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
• SMILES: Cc1c(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(=O)n1CC1CC1
• InChI: InChI=1S/C29H31N7O2/c1-17(2)36-16-31-34-27(36)25-5-4-6-26(32-25)33-28(37)23-13-22(18(3)35(29(23)38)15-19-7-8-19)21-11-12-24(30-14-21)20-9-10-20/h4-6,11-14,16-17,19-20H,7-10,15H2,1-3H3,(H,32,33,37)
• InChIKey: KSSGBYIDSCFOHE-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 107.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 146430988) is 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is Cc1c(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(=O)n1CC1CC1.

What is the InChIKey of 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?

The InChIKey is KSSGBYIDSCFOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-17(2)36-16-31-34-27(36)25-5-4-6-26(32-25)33-28(37)23-13-22(18(3)35(29(23)38)15-19-7-8-19)21-11-12-24(30-14-21)20-9-10-20/h4-6,11-14,16-17,19-20H,7-10,15H2,1-3H3,(H,32,33,37).

What are the key properties of 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?

1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 146430988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).