2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

C23H28ClN3O3 — CID 4642657

IUPAC2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESCOc1ccccc1CN(C(=O)CCl)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C23H28ClN3O3/c1-30-20-12-6-5-8-18(20)16-27(21(28)14-24)22(17-9-7-13-25-15-17)23(29)26-19-10-3-2-4-11-19/h5-9,12-13,15,19,22H,2-4,10-11,14,16H2,1H3,(H,26,29)
InChIKeyJYGHBJLBEXURKR-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.85
Rot. Bonds8

About 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (PubChem CID 4642657) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
PubChem CID4642657
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESCOc1ccccc1CN(C(=O)CCl)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C23H28ClN3O3/c1-30-20-12-6-5-8-18(20)16-27(21(28)14-24)22(17-9-7-13-25-15-17)23(29)26-19-10-3-2-4-11-19/h5-9,12-13,15,19,22H,2-4,10-11,14,16H2,1H3,(H,26,29)
InChIKeyJYGHBJLBEXURKR-UHFFFAOYSA-N
XLogP3.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3196481
N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3202578
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 93473341
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162533663
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
CID 166632953
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 4050473
2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791217
2-[(2-chloroacetyl)-(1-phenylazetidin-3-yl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791171
methyl 4-[2-(cyclohexylamino)-1-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 3191164

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (CID 4642657) is 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is COc1ccccc1CN(C(=O)CCl)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The InChIKey is JYGHBJLBEXURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-30-20-12-6-5-8-18(20)16-27(21(28)14-24)22(17-9-7-13-25-15-17)23(29)26-19-10-3-2-4-11-19/h5-9,12-13,15,19,22H,2-4,10-11,14,16H2,1H3,(H,26,29).
What are the key properties of 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide has a molecular weight of 429.95 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 4642657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).