N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide

C15H16ClN3O — CID 43679078

IUPACN-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2ccccn2)c1
InChIInChI=1S/C15H16ClN3O/c1-2-15(20)19-11-6-7-13(16)14(9-11)18-10-12-5-3-4-8-17-12/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyMOIOZKAGBGCYFB-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.70
Rot. Bonds5

About N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide

N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide (PubChem CID 43679078) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
PubChem CID43679078
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NCc2ccccn2)c1
InChIInChI=1S/C15H16ClN3O/c1-2-15(20)19-11-6-7-13(16)14(9-11)18-10-12-5-3-4-8-17-12/h3-9,18H,2,10H2,1H3,(H,19,20)
InChIKeyMOIOZKAGBGCYFB-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
N-[4-chloro-3-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43679077
N-[4-chloro-3-[(4-hydroxyphenyl)methylamino]phenyl]propanamide
CID 43679042
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
CID 106885136
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide (CID 43679078) is N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NCc2ccccn2)c1.
What is the InChIKey of N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide?
The InChIKey is MOIOZKAGBGCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-15(20)19-11-6-7-13(16)14(9-11)18-10-12-5-3-4-8-17-12/h3-9,18H,2,10H2,1H3,(H,19,20).
What are the key properties of N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide?
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide has a molecular weight of 289.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 43679078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).