N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide

C18H28N4O2 — CID 161116658

IUPACN-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide
SMILESCNc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-14(23)13-22-11-8-15(9-12-22)18(24)20-10-4-6-16-5-3-7-17(19-2)21-16/h3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyYSAVZQGCGSMERL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.47
Rot. Bonds8

About N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide

N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide (PubChem CID 161116658) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide
PubChem CID161116658
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide
SMILESCNc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-14(23)13-22-11-8-15(9-12-22)18(24)20-10-4-6-16-5-3-7-17(19-2)21-16/h3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyYSAVZQGCGSMERL-UHFFFAOYSA-N
XLogP1.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 114082462
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46774026
2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 135312433
4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide
CID 158261114
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 47056927
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79039473
(2S)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoic acid
CID 142419026
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide (CID 161116658) is N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide is CNc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1.
What is the InChIKey of N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide?
The InChIKey is YSAVZQGCGSMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(23)13-22-11-8-15(9-12-22)18(24)20-10-4-6-16-5-3-7-17(19-2)21-16/h3,5,7,15H,4,6,8-13H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide?
N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide is sourced from PubChem (CID 161116658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).