N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide

C42H54ClN5O5 — CID 177340876

About N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide

N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide (PubChem CID 177340876) has the molecular formula C42H54ClN5O5 and a molecular weight of 744.38 g/mol. Its IUPAC name is N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide
• PubChem CID: 177340876
• Molecular Formula: C42H54ClN5O5
• Molecular Weight: 744.38 g/mol
• Exact Mass: 743.38
• IUPAC Name: N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide
• SMILES: CCCC(=O)NC(CC)CCC(C)CC.COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2Cl)cc2c1CCC2
• InChI: InChI=1S/C29H27ClN4O4.C13H27NO/c1-16-18(9-7-13-23(16)31-26(35)22-15-33(2)29(37)34(3)28(22)36)20-11-6-12-21(25(20)30)24-14-17-8-5-10-19(17)27(32-24)38-4;1-5-8-13(15)14-12(7-3)10-9-11(4)6-2/h6-7,9,11-15H,5,8,10H2,1-4H3,(H,31,35);11-12H,5-10H2,1-4H3,(H,14,15)
• InChIKey: OVICLUIBYUONFH-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 124.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.38
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide?

The IUPAC name of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide (CID 177340876) is N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide.

What is the SMILES notation for N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide?

The canonical SMILES for N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide is CCCC(=O)NC(CC)CCC(C)CC.COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2Cl)cc2c1CCC2.

What is the InChIKey of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide?

The InChIKey is OVICLUIBYUONFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN4O4.C13H27NO/c1-16-18(9-7-13-23(16)31-26(35)22-15-33(2)29(37)34(3)28(22)36)20-11-6-12-21(25(20)30)24-14-17-8-5-10-19(17)27(32-24)38-4;1-5-8-13(15)14-12(7-3)10-9-11(4)6-2/h6-7,9,11-15H,5,8,10H2,1-4H3,(H,31,35);11-12H,5-10H2,1-4H3,(H,14,15).

What are the key properties of N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide?

N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide has a molecular weight of 744.38 g/mol, XLogP of 8.03, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(6-methyloctan-3-yl)butanamide is sourced from PubChem (CID 177340876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).