N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide

C17H20ClN3O — CID 113023990

IUPACN-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
SMILESCCCCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H20ClN3O/c1-2-3-10-19-15-8-9-16(20-12-15)21-17(22)11-13-4-6-14(18)7-5-13/h4-9,12,19H,2-3,10-11H2,1H3,(H,20,21,22)
InChIKeyHKTVQWIRBTVZPP-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.13
Rot. Bonds7

About N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide

N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113023990) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
PubChem CID113023990
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
SMILESCCCCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H20ClN3O/c1-2-3-10-19-15-8-9-16(20-12-15)21-17(22)11-13-4-6-14(18)7-5-13/h4-9,12,19H,2-3,10-11H2,1H3,(H,20,21,22)
InChIKeyHKTVQWIRBTVZPP-UHFFFAOYSA-N
XLogP4.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.13
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

4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
CID 113010953
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide (CID 113023990) is N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide is CCCCNc1ccc(NC(=O)Cc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is HKTVQWIRBTVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-3-10-19-15-8-9-16(20-12-15)21-17(22)11-13-4-6-14(18)7-5-13/h4-9,12,19H,2-3,10-11H2,1H3,(H,20,21,22).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide?
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113023990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).