N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide

C16H18ClN3O — CID 113033187

IUPACN-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-2-3-8-16(21)20-15-10-9-12(11-18-15)19-14-7-5-4-6-13(14)17/h4-7,9-11,19H,2-3,8H2,1H3,(H,18,20,21)
InChIKeyKMZUTDQTYOBIQT-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.61
Rot. Bonds6

About N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide

N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide (PubChem CID 113033187) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
PubChem CID113033187
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-2-3-8-16(21)20-15-10-9-12(11-18-15)19-14-7-5-4-6-13(14)17/h4-7,9-11,19H,2-3,8H2,1H3,(H,18,20,21)
InChIKeyKMZUTDQTYOBIQT-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[5-(2-cyanoanilino)-2-pyridinyl]pentanamide
CID 113037039
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
N-(2-chlorophenyl)hexanamide
CID 4644560
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]pentanamide
CID 113032811
N-[6-(2,3-dimethylanilino)-3-pyridinyl]pentanamide
CID 113017248
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
N-(2-chlorophenyl)octanamide
CID 2292983
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]pentanamide
CID 113050912
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
CID 113036750

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide?
The IUPAC name of N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide (CID 113033187) is N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide?
The canonical SMILES for N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(Nc2ccccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide?
The InChIKey is KMZUTDQTYOBIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-3-8-16(21)20-15-10-9-12(11-18-15)19-14-7-5-4-6-13(14)17/h4-7,9-11,19H,2-3,8H2,1H3,(H,18,20,21).
What are the key properties of N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide?
N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide has a molecular weight of 303.79 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide is sourced from PubChem (CID 113033187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).