N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide

C16H18ClN3O — CID 113012264

IUPACN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O/c1-2-3-16(21)20-14-8-9-15(19-11-14)18-10-12-4-6-13(17)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyGJQPYHMYUMNHOU-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.09
Rot. Bonds6

About N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide (PubChem CID 113012264) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
PubChem CID113012264
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O/c1-2-3-16(21)20-14-8-9-15(19-11-14)18-10-12-4-6-13(17)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyGJQPYHMYUMNHOU-UHFFFAOYSA-N
XLogP4.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
CID 82034183
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012649
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
CID 113041597
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide (CID 113012264) is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide?
The InChIKey is GJQPYHMYUMNHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-3-16(21)20-14-8-9-15(19-11-14)18-10-12-4-6-13(17)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide?
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide has a molecular weight of 303.79 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide is sourced from PubChem (CID 113012264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).