N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide

C17H17ClN2O — CID 72687029

IUPACN-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
SMILESCC(=CC(=O)Nc1ccc(Cl)nc1)CCc1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-13(7-8-14-5-3-2-4-6-14)11-17(21)20-15-9-10-16(18)19-12-15/h2-6,9-12H,7-8H2,1H3,(H,20,21)
InChIKeyGKPQCUXXNGJRAH-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.25
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide

N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide (PubChem CID 72687029) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
PubChem CID72687029
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
SMILESCC(=CC(=O)Nc1ccc(Cl)nc1)CCc1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-13(7-8-14-5-3-2-4-6-14)11-17(21)20-15-9-10-16(18)19-12-15/h2-6,9-12H,7-8H2,1H3,(H,20,21)
InChIKeyGKPQCUXXNGJRAH-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide
CID 97462637
3-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-5-phenylpent-2-enamide
CID 72689157
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
CID 75462488
(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
CID 75364637
2-anilino-N-(6-chloro-3-pyridinyl)acetamide
CID 81489216
(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
CID 95289169
3-[4-[(6-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 81368393
6-chloro-N-prop-1-en-2-ylpyridin-3-amine
CID 89013102
N-(6-chloro-3-pyridinyl)furan-2-carboxamide
CID 54787856
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
(E)-3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
CID 6346285
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide (CID 72687029) is N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide is CC(=CC(=O)Nc1ccc(Cl)nc1)CCc1ccccc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide?
The InChIKey is GKPQCUXXNGJRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-13(7-8-14-5-3-2-4-6-14)11-17(21)20-15-9-10-16(18)19-12-15/h2-6,9-12H,7-8H2,1H3,(H,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide?
N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide has a molecular weight of 300.79 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide is sourced from PubChem (CID 72687029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).