4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide

C15H20Cl2N2O — CID 155891985

IUPAC4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide
SMILESCC(Cl)C=CC(=O)N(Cc1ccc(Cl)nc1)CC(C)C
InChIInChI=1S/C15H20Cl2N2O/c1-11(2)9-19(15(20)7-4-12(3)16)10-13-5-6-14(17)18-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyXPVRFPGHRWBNNV-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.90
Rot. Bonds6

About 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide

4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide (PubChem CID 155891985) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide.

Molecular Properties

Compound Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide
PubChem CID155891985
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide
SMILESCC(Cl)C=CC(=O)N(Cc1ccc(Cl)nc1)CC(C)C
InChIInChI=1S/C15H20Cl2N2O/c1-11(2)9-19(15(20)7-4-12(3)16)10-13-5-6-14(17)18-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyXPVRFPGHRWBNNV-UHFFFAOYSA-N
XLogP3.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide 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

4-bromo-N-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)hex-2-enamide
CID 70540411
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
(E)-N-butan-2-yl-4-chloro-N-[(4-chlorophenyl)methyl]pent-2-enamide
CID 13101248
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6026974
1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol
CID 86624869
N-[1-[(6-chloro-3-pyridinyl)methyl-ethylamino]ethenyl]-N-methylformamide
CID 54359512
(Z)-1-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-2-nitroethenamine
CID 139215049
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541
N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-1-nitrobut-1-en-2-amine
CID 58031189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
The IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide (CID 155891985) is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide.
What is the SMILES notation for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
The canonical SMILES for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide is CC(Cl)C=CC(=O)N(Cc1ccc(Cl)nc1)CC(C)C.
What is the InChIKey of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
The InChIKey is XPVRFPGHRWBNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-11(2)9-19(15(20)7-4-12(3)16)10-13-5-6-14(17)18-8-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide?
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide has a molecular weight of 315.24 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylpropyl)pent-2-enamide is sourced from PubChem (CID 155891985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).