4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide

C16H18ClN3O — CID 81230949

IUPAC4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1cnccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-20(13-6-3-2-4-7-13)11-5-9-19-16(21)14-12-18-10-8-15(14)17/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21)
InChIKeyPLUOGYFDUUUQIY-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.99
Rot. Bonds6

About 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide

4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide (PubChem CID 81230949) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
PubChem CID81230949
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
SMILESCN(CCCNC(=O)c1cnccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-20(13-6-3-2-4-7-13)11-5-9-19-16(21)14-12-18-10-8-15(14)17/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21)
InChIKeyPLUOGYFDUUUQIY-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 53004624
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
CID 77084137

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide (CID 81230949) is 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide is CN(CCCNC(=O)c1cnccc1Cl)c1ccccc1.
What is the InChIKey of 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
The InChIKey is PLUOGYFDUUUQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(13-6-3-2-4-7-13)11-5-9-19-16(21)14-12-18-10-8-15(14)17/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide?
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 81230949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).