6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide

C30H39N5O3 — CID 167486474

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide (PubChem CID 167486474) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide
• PubChem CID: 167486474
• Molecular Formula: C30H39N5O3
• Molecular Weight: 517.67 g/mol
• Exact Mass: 517.31
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide
• SMILES: CCC(CC(C)C)N1C=C(c2cccc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)NC)c2OC)C=CC1
• InChI: InChI=1S/C30H39N5O3/c1-6-22(15-19(2)3)35-14-8-9-21(18-35)23-10-7-11-25(28(23)38-5)33-26-16-27(34-29(36)20-12-13-20)32-17-24(26)30(37)31-4/h7-11,16-20,22H,6,12-15H2,1-5H3,(H,31,37)(H2,32,33,34,36)
• InChIKey: QBHIITCCNPLRMU-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.67
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide (CID 167486474) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide is CCC(CC(C)C)N1C=C(c2cccc(Nc3cc(NC(=O)C4CC4)ncc3C(=O)NC)c2OC)C=CC1.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide?

The InChIKey is QBHIITCCNPLRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3/c1-6-22(15-19(2)3)35-14-8-9-21(18-35)23-10-7-11-25(28(23)38-5)33-26-16-27(34-29(36)20-12-13-20)32-17-24(26)30(37)31-4/h7-11,16-20,22H,6,12-15H2,1-5H3,(H,31,37)(H2,32,33,34,36).

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 517.67 g/mol, XLogP of 5.58, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167486474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).