6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide

C18H20ClN3O2 — CID 133472944

IUPAC6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(C)(O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C18H20ClN3O2/c1-3-9-20-17(23)13-7-8-16(21-11-13)22-12-18(2,24)14-5-4-6-15(19)10-14/h3-8,10-11,24H,1,9,12H2,2H3,(H,20,23)(H,21,22)
InChIKeyBWHKNIRGDYPKBQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.97
Rot. Bonds7

About 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide

6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133472944) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133472944
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(C)(O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C18H20ClN3O2/c1-3-9-20-17(23)13-7-8-16(21-11-13)22-12-18(2,24)14-5-4-6-15(19)10-14/h3-8,10-11,24H,1,9,12H2,2H3,(H,20,23)(H,21,22)
InChIKeyBWHKNIRGDYPKBQ-UHFFFAOYSA-N
XLogP2.97
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-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

6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
1-[2-(3-chlorophenyl)propan-2-yl]-3-prop-2-enylurea
CID 110490627
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
2-(3-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133306917
6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide
CID 110490180
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272257
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide (CID 133472944) is 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NCC(C)(O)c2cccc(Cl)c2)nc1.
What is the InChIKey of 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is BWHKNIRGDYPKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-9-20-17(23)13-7-8-16(21-11-13)22-12-18(2,24)14-5-4-6-15(19)10-14/h3-8,10-11,24H,1,9,12H2,2H3,(H,20,23)(H,21,22).
What are the key properties of 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133472944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).