N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide

C49H68ClN5O4 — CID 177340714

About N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide

N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide (PubChem CID 177340714) has the molecular formula C49H68ClN5O4 and a molecular weight of 826.57 g/mol. Its IUPAC name is N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide
• PubChem CID: 177340714
• Molecular Formula: C49H68ClN5O4
• Molecular Weight: 826.57 g/mol
• Exact Mass: 825.50
• IUPAC Name: N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide
• SMILES: C=C1N(CCC)C=C(C(=O)Nc2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(C)CC5)c3Cl)c2C)C(=O)N1C.CCC(C)CCC(CC)(CC)NC(=O)C(C)CC
• InChI: InChI=1S/C33H35ClN4O3.C16H33NO/c1-7-16-38-18-26(33(40)37(5)21(38)4)31(39)35-27-13-9-10-23(20(27)3)24-11-8-12-25(30(24)34)28-17-22-15-14-19(2)29(22)32(36-28)41-6;1-7-13(5)11-12-16(9-3,10-4)17-15(18)14(6)8-2/h8-13,17-19H,4,7,14-16H2,1-3,5-6H3,(H,35,39);13-14H,7-12H2,1-6H3,(H,17,18)
• InChIKey: CKCAQDBDMOFGAN-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.57
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide?

The IUPAC name of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide (CID 177340714) is N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide.

What is the SMILES notation for N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide?

The canonical SMILES for N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide is C=C1N(CCC)C=C(C(=O)Nc2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(C)CC5)c3Cl)c2C)C(=O)N1C.CCC(C)CCC(CC)(CC)NC(=O)C(C)CC.

What is the InChIKey of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide?

The InChIKey is CKCAQDBDMOFGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN4O3.C16H33NO/c1-7-16-38-18-26(33(40)37(5)21(38)4)31(39)35-27-13-9-10-23(20(27)3)24-11-8-12-25(30(24)34)28-17-22-15-14-19(2)29(22)32(36-28)41-6;1-7-13(5)11-12-16(9-3,10-4)17-15(18)14(6)8-2/h8-13,17-19H,4,7,14-16H2,1-3,5-6H3,(H,35,39);13-14H,7-12H2,1-6H3,(H,17,18).

What are the key properties of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide?

N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide has a molecular weight of 826.57 g/mol, XLogP of 11.45, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-3-methyl-2-methylidene-4-oxo-1-propylpyrimidine-5-carboxamide;N-(3-ethyl-6-methyloctan-3-yl)-2-methylbutanamide is sourced from PubChem (CID 177340714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).