(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide

C16H21N3O — CID 124888922

IUPAC(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCC=C(c2cccnc2)C1
InChIInChI=1S/C16H21N3O/c1-3-8-18-16(20)13(2)19-10-5-7-15(12-19)14-6-4-9-17-11-14/h3-4,6-7,9,11,13H,1,5,8,10,12H2,2H3,(H,18,20)/t13-/m1/s1
InChIKeyUFXJGFWZTQIAMB-CYBMUJFWSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds5

About (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide

(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 124888922) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID124888922
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC=CCNC(=O)[C@@H](C)N1CCC=C(c2cccnc2)C1
InChIInChI=1S/C16H21N3O/c1-3-8-18-16(20)13(2)19-10-5-7-15(12-19)14-6-4-9-17-11-14/h3-4,6-7,9,11,13H,1,5,8,10,12H2,2H3,(H,18,20)/t13-/m1/s1
InChIKeyUFXJGFWZTQIAMB-CYBMUJFWSA-N
XLogP1.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide with MolForge

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Related Compounds

2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 46625755
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359810
2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 51234910
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460026
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9460029
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
CID 67108929
(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512625
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541

Frequently Asked Questions

What is the IUPAC name of (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide (CID 124888922) is (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide is C=CCNC(=O)[C@@H](C)N1CCC=C(c2cccnc2)C1.
What is the InChIKey of (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is UFXJGFWZTQIAMB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-18-16(20)13(2)19-10-5-7-15(12-19)14-6-4-9-17-11-14/h3-4,6-7,9,11,13H,1,5,8,10,12H2,2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 124888922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).