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

C30H40N6O3 — CID 167486580

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

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 167486580) has the molecular formula C30H40N6O3 and a molecular weight of 532.69 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 167486580
• Molecular Formula: C30H40N6O3
• Molecular Weight: 532.69 g/mol
• Exact Mass: 532.32
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide
• SMILES: CCC(CC(C)C)N1C=C(c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(=O)NC)c2OC)C(C)=CC1
• InChI: InChI=1S/C30H40N6O3/c1-7-21(15-18(2)3)36-14-13-19(4)23(17-36)22-9-8-10-24(28(22)39-6)32-25-16-26(33-29(37)20-11-12-20)34-35-27(25)30(38)31-5/h8-10,13,16-18,20-21H,7,11-12,14-15H2,1-6H3,(H,31,38)(H2,32,33,34,37)
• InChIKey: KTQSXUXUKUADIM-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.69
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide (CID 167486580) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide.

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

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide is CCC(CC(C)C)N1C=C(c2cccc(Nc3cc(NC(=O)C4CC4)nnc3C(=O)NC)c2OC)C(C)=CC1.

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

The InChIKey is KTQSXUXUKUADIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O3/c1-7-21(15-18(2)3)36-14-13-19(4)23(17-36)22-9-8-10-24(28(22)39-6)32-25-16-26(33-29(37)20-11-12-20)34-35-27(25)30(38)31-5/h8-10,13,16-18,20-21H,7,11-12,14-15H2,1-6H3,(H,31,38)(H2,32,33,34,37).

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

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 5.36, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-methyl-1-(5-methylhexan-3-yl)-2H-pyridin-5-yl]anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167486580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).