2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide

C16H16ClN3O — CID 113009343

IUPAC2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H16ClN3O/c1-2-9-18-15-8-7-14(11-19-15)20-16(21)10-12-3-5-13(17)6-4-12/h2-8,11H,1,9-10H2,(H,18,19)(H,20,21)
InChIKeyNHDPNQRSHDTHIB-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.51
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide (PubChem CID 113009343) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
PubChem CID113009343
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
SMILESC=CCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H16ClN3O/c1-2-9-18-15-8-7-14(11-19-15)20-16(21)10-12-3-5-13(17)6-4-12/h2-8,11H,1,9-10H2,(H,18,19)(H,20,21)
InChIKeyNHDPNQRSHDTHIB-UHFFFAOYSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
CID 113010953
2-(2,4-dichlorophenoxy)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide
CID 113009348
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
CID 113009307
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
2-(2-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023878
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-amino-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 39178299
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide (CID 113009343) is 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide is C=CCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
The InChIKey is NHDPNQRSHDTHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-2-9-18-15-8-7-14(11-19-15)20-16(21)10-12-3-5-13(17)6-4-12/h2-8,11H,1,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide has a molecular weight of 301.78 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113009343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).