N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine

C53H83ClN6O4 — CID 177340871

About N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine

N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine (PubChem CID 177340871) has the molecular formula C53H83ClN6O4 and a molecular weight of 903.74 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-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine
• PubChem CID: 177340871
• Molecular Formula: C53H83ClN6O4
• Molecular Weight: 903.74 g/mol
• Exact Mass: 902.62
• IUPAC Name: N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine
• SMILES: C=C1N(C)C=C(C(=O)Nc2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(C)CC5)c3Cl)c2CCC)C(=O)N1C.CC.CCCC[C@H](C)CC.CCCN.CCNC(=O)C(C)CC
• InChI: InChI=1S/C33H35ClN4O3.C8H18.C7H15NO.C3H9N.C2H6/c1-7-10-23-22(11-9-14-27(23)35-31(39)26-18-37(4)20(3)38(5)33(26)40)24-12-8-13-25(30(24)34)28-17-21-16-15-19(2)29(21)32(36-28)41-6;1-4-6-7-8(3)5-2;1-4-6(3)7(9)8-5-2;1-2-3-4;1-2/h8-9,11-14,17-19H,3,7,10,15-16H2,1-2,4-6H3,(H,35,39);8H,4-7H2,1-3H3;6H,4-5H2,1-3H3,(H,8,9);2-4H2,1H3;1-2H3/t;8-;;;/m.1.../s1
• InChIKey: FGSMYVDGAHAZCT-HPQOONHBSA-N
• XLogP: 12.55
• TPSA: 129.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.74
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine?

The IUPAC name of N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine (CID 177340871) is N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine.

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-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine?

The canonical SMILES for N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine is C=C1N(C)C=C(C(=O)Nc2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(C)CC5)c3Cl)c2CCC)C(=O)N1C.CC.CCCC[C@H](C)CC.CCCN.CCNC(=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-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine?

The InChIKey is FGSMYVDGAHAZCT-HPQOONHBSA-N. The full InChI is InChI=1S/C33H35ClN4O3.C8H18.C7H15NO.C3H9N.C2H6/c1-7-10-23-22(11-9-14-27(23)35-31(39)26-18-37(4)20(3)38(5)33(26)40)24-12-8-13-25(30(24)34)28-17-21-16-15-19(2)29(21)32(36-28)41-6;1-4-6-7-8(3)5-2;1-4-6(3)7(9)8-5-2;1-2-3-4;1-2/h8-9,11-14,17-19H,3,7,10,15-16H2,1-2,4-6H3,(H,35,39);8H,4-7H2,1-3H3;6H,4-5H2,1-3H3,(H,8,9);2-4H2,1H3;1-2H3/t;8-;;;/m.1.../s1.

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-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine?

N-[3-[2-chloro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine has a molecular weight of 903.74 g/mol, XLogP of 12.55, 15 rotatable bonds, 3 hydrogen bond donors, and 7 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-propylphenyl]-1,3-dimethyl-2-methylidene-4-oxopyrimidine-5-carboxamide;ethane;N-ethyl-2-methylbutanamide;(3R)-3-methylheptane;propan-1-amine is sourced from PubChem (CID 177340871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).