3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide

C26H33N3O4 — CID 42540450

IUPAC3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCCC3)c2=O)cc1
InChIInChI=1S/C26H33N3O4/c1-33-21-12-8-18(9-13-21)14-15-27-25(31)22-16-29(20-10-11-20)17-23(24(22)30)26(32)28-19-6-4-2-3-5-7-19/h8-9,12-13,16-17,19-20H,2-7,10-11,14-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyFPDTYBGIUHKIDS-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.62
Rot. Bonds8

About 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide

3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42540450) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID42540450
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCCC3)c2=O)cc1
InChIInChI=1S/C26H33N3O4/c1-33-21-12-8-18(9-13-21)14-15-27-25(31)22-16-29(20-10-11-20)17-23(24(22)30)26(32)28-19-6-4-2-3-5-7-19/h8-9,12-13,16-17,19-20H,2-7,10-11,14-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyFPDTYBGIUHKIDS-UHFFFAOYSA-N
XLogP3.62
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42212323
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110991193
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide (CID 42540450) is 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide is COc1ccc(CCNC(=O)c2cn(C3CC3)cc(C(=O)NC3CCCCCC3)c2=O)cc1.
What is the InChIKey of 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is FPDTYBGIUHKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-33-21-12-8-18(9-13-21)14-15-27-25(31)22-16-29(20-10-11-20)17-23(24(22)30)26(32)28-19-6-4-2-3-5-7-19/h8-9,12-13,16-17,19-20H,2-7,10-11,14-15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide?
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42540450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).