N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide

C17H22N4O3 — CID 72876390

IUPACN-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCC(=O)N(C2CC2)C1)c1cccnc1
InChIInChI=1S/C17H22N4O3/c22-15-6-3-13(11-21(15)14-4-5-14)17(24)20-9-8-19-16(23)12-2-1-7-18-10-12/h1-2,7,10,13-14H,3-6,8-9,11H2,(H,19,23)(H,20,24)
InChIKeyKUBFUXOJFYOVQO-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.33
Rot. Bonds6

About N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 72876390) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID72876390
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCC(=O)N(C2CC2)C1)c1cccnc1
InChIInChI=1S/C17H22N4O3/c22-15-6-3-13(11-21(15)14-4-5-14)17(24)20-9-8-19-16(23)12-2-1-7-18-10-12/h1-2,7,10,13-14H,3-6,8-9,11H2,(H,19,23)(H,20,24)
InChIKeyKUBFUXOJFYOVQO-UHFFFAOYSA-N
XLogP0.33
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
N-[2-[(1-cyclopentylpiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72909443
N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97203330
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119850152
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 39023396
1-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45227376
(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 36868577
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
(3R)-1-[(4-chlorophenyl)methyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 97148223
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide (CID 72876390) is N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)C1CCC(=O)N(C2CC2)C1)c1cccnc1.
What is the InChIKey of N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is KUBFUXOJFYOVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-6-3-13(11-21(15)14-4-5-14)17(24)20-9-8-19-16(23)12-2-1-7-18-10-12/h1-2,7,10,13-14H,3-6,8-9,11H2,(H,19,23)(H,20,24).
What are the key properties of N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 72876390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).