5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide

C28H30N6O2 — CID 69034645

About 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide

5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide (PubChem CID 69034645) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide
• PubChem CID: 69034645
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(N(C)C2CC2)nc1
• InChI: InChI=1S/C28H30N6O2/c1-17-24(27(36)32-21-6-9-25(31-15-21)34(5)23-7-8-23)13-22(16-30-17)33-26(35)19-10-18(14-29)11-20(12-19)28(2,3)4/h6,9-13,15-16,23H,7-8H2,1-5H3,(H,32,36)(H,33,35)
• InChIKey: CKHNWMLUGGRUTQ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 111.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide (CID 69034645) is 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide?

The canonical SMILES for 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide is Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(N(C)C2CC2)nc1.

What is the InChIKey of 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide?

The InChIKey is CKHNWMLUGGRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-17-24(27(36)32-21-6-9-25(31-15-21)34(5)23-7-8-23)13-22(16-30-17)33-26(35)19-10-18(14-29)11-20(12-19)28(2,3)4/h6,9-13,15-16,23H,7-8H2,1-5H3,(H,32,36)(H,33,35).

What are the key properties of 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide?

5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 69034645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).