2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide

C15H16ClN3O — CID 133313845

IUPAC2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
SMILESCc1cccc(NCCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-11-5-4-8-14(19-11)17-9-10-18-15(20)12-6-2-3-7-13(12)16/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyDJVNWXADBMHYSZ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.89
Rot. Bonds5

About 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide

2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide (PubChem CID 133313845) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
PubChem CID133313845
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
SMILESCc1cccc(NCCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-11-5-4-8-14(19-11)17-9-10-18-15(20)12-6-2-3-7-13(12)16/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyDJVNWXADBMHYSZ-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
2-chloro-N-[2-[(4-ethyl-5-methylpyrimidin-2-yl)amino]ethyl]benzamide
CID 126429871
2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 70703079
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
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2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide
CID 42111717
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide (CID 133313845) is 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide is Cc1cccc(NCCNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide?
The InChIKey is DJVNWXADBMHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11-5-4-8-14(19-11)17-9-10-18-15(20)12-6-2-3-7-13(12)16/h2-8H,9-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide has a molecular weight of 289.77 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide is sourced from PubChem (CID 133313845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).