2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide

C14H14ClN3O — CID 63660235

IUPAC2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1c(N)cccc1Cl)c1cccnc1
InChIInChI=1S/C14H14ClN3O/c1-9(10-4-3-7-17-8-10)18-14(19)13-11(15)5-2-6-12(13)16/h2-9H,16H2,1H3,(H,18,19)
InChIKeyMGFNXIWUXPSCDJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.81
Rot. Bonds3

About 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide

2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 63660235) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID63660235
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1c(N)cccc1Cl)c1cccnc1
InChIInChI=1S/C14H14ClN3O/c1-9(10-4-3-7-17-8-10)18-14(19)13-11(15)5-2-6-12(13)16/h2-9H,16H2,1H3,(H,18,19)
InChIKeyMGFNXIWUXPSCDJ-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 63659319
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 107794747
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide (CID 63660235) is 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1c(N)cccc1Cl)c1cccnc1.
What is the InChIKey of 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is MGFNXIWUXPSCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(10-4-3-7-17-8-10)18-14(19)13-11(15)5-2-6-12(13)16/h2-9H,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide?
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 275.74 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 63660235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).