N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide

C18H22ClN3O — CID 113028999

IUPACN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H22ClN3O/c1-13(2)11-18(23)22-17-8-7-16(12-21-17)20-10-9-14-3-5-15(19)6-4-14/h3-8,12-13,20H,9-11H2,1-2H3,(H,21,22,23)
InChIKeyKLPJGZMYFYNAHC-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.37
Rot. Bonds7

About N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide

N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide (PubChem CID 113028999) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
PubChem CID113028999
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H22ClN3O/c1-13(2)11-18(23)22-17-8-7-16(12-21-17)20-10-9-14-3-5-15(19)6-4-14/h3-8,12-13,20H,9-11H2,1-2H3,(H,21,22,23)
InChIKeyKLPJGZMYFYNAHC-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151889

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide (CID 113028999) is N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide?
The InChIKey is KLPJGZMYFYNAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-13(2)11-18(23)22-17-8-7-16(12-21-17)20-10-9-14-3-5-15(19)6-4-14/h3-8,12-13,20H,9-11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide?
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide has a molecular weight of 331.85 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113028999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).