N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide

C19H28N4O2 — CID 97203330

IUPACN-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CCCN(C2CCCC2)C1)c1cccnc1
InChIInChI=1S/C19H28N4O2/c24-18(15-5-3-9-20-13-15)21-10-11-22-19(25)16-6-4-12-23(14-16)17-7-1-2-8-17/h3,5,9,13,16-17H,1-2,4,6-8,10-12,14H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyAIFGERMAAWWXJS-INIZCTEOSA-N
MW344.46 g/mol
LogP1.58
Rot. Bonds6

About N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 97203330) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID97203330
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CCCN(C2CCCC2)C1)c1cccnc1
InChIInChI=1S/C19H28N4O2/c24-18(15-5-3-9-20-13-15)21-10-11-22-19(25)16-6-4-12-23(14-16)17-7-1-2-8-17/h3,5,9,13,16-17H,1-2,4,6-8,10-12,14H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyAIFGERMAAWWXJS-INIZCTEOSA-N
XLogP1.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(1-cyclopentylpiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72909443
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[2-[(1-cyclopropyl-6-oxopiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72876390
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70731407
N-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119850152
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyridine-3-carboxamide
CID 131677870
N-(3,3-dimethylbutyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56875611

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide (CID 97203330) is N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)[C@H]1CCCN(C2CCCC2)C1)c1cccnc1.
What is the InChIKey of N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is AIFGERMAAWWXJS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(15-5-3-9-20-13-15)21-10-11-22-19(25)16-6-4-12-23(14-16)17-7-1-2-8-17/h3,5,9,13,16-17H,1-2,4,6-8,10-12,14H2,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 97203330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).