6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide

C16H23N3O2 — CID 133306917

IUPAC6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(O)C2CCCC2)nc1
InChIInChI=1S/C16H23N3O2/c1-2-9-17-16(21)13-7-8-15(18-10-13)19-11-14(20)12-5-3-4-6-12/h2,7-8,10,12,14,20H,1,3-6,9,11H2,(H,17,21)(H,18,19)
InChIKeyHDACTARTVVNYAU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.96
Rot. Bonds7

About 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide

6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133306917) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133306917
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(O)C2CCCC2)nc1
InChIInChI=1S/C16H23N3O2/c1-2-9-17-16(21)13-7-8-15(18-10-13)19-11-14(20)12-5-3-4-6-12/h2,7-8,10,12,14,20H,1,3-6,9,11H2,(H,17,21)(H,18,19)
InChIKeyHDACTARTVVNYAU-UHFFFAOYSA-N
XLogP1.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97017820
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696
6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133473407
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97022282
N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
CID 96566222
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133378451
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide (CID 133306917) is 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NCC(O)C2CCCC2)nc1.
What is the InChIKey of 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is HDACTARTVVNYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-9-17-16(21)13-7-8-15(18-10-13)19-11-14(20)12-5-3-4-6-12/h2,7-8,10,12,14,20H,1,3-6,9,11H2,(H,17,21)(H,18,19).
What are the key properties of 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133306917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).