2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide

C20H28N4O3 — CID 42862667

IUPAC2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCOC(CN(C(=O)c2cccnc2)C2CCCC2)C1
InChIInChI=1S/C20H28N4O3/c1-2-9-22-20(26)23-11-12-27-18(14-23)15-24(17-7-3-4-8-17)19(25)16-6-5-10-21-13-16/h2,5-6,10,13,17-18H,1,3-4,7-9,11-12,14-15H2,(H,22,26)
InChIKeyMZLIDXWAUMUKOK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.06
Rot. Bonds6

About 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide

2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide (PubChem CID 42862667) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
PubChem CID42862667
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCOC(CN(C(=O)c2cccnc2)C2CCCC2)C1
InChIInChI=1S/C20H28N4O3/c1-2-9-22-20(26)23-11-12-27-18(14-23)15-24(17-7-3-4-8-17)19(25)16-6-5-10-21-13-16/h2,5-6,10,13,17-18H,1,3-4,7-9,11-12,14-15H2,(H,22,26)
InChIKeyMZLIDXWAUMUKOK-UHFFFAOYSA-N
XLogP2.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-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

(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93327899
(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990179
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 46060541
(2S)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93339140
N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861747
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379
2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862621

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The IUPAC name of 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide (CID 42862667) is 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The canonical SMILES for 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide is C=CCNC(=O)N1CCOC(CN(C(=O)c2cccnc2)C2CCCC2)C1.
What is the InChIKey of 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The InChIKey is MZLIDXWAUMUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-2-9-22-20(26)23-11-12-27-18(14-23)15-24(17-7-3-4-8-17)19(25)16-6-5-10-21-13-16/h2,5-6,10,13,17-18H,1,3-4,7-9,11-12,14-15H2,(H,22,26).
What are the key properties of 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide is sourced from PubChem (CID 42862667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).