N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide

C16H19N3O — CID 31316694

IUPACN-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
SMILESCN(CCCNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(14-8-3-2-4-9-14)13-7-12-18-16(20)15-10-5-6-11-17-15/h2-6,8-11H,7,12-13H2,1H3,(H,18,20)
InChIKeyLJFKOFFZUAVACL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide

N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide (PubChem CID 31316694) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
PubChem CID31316694
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
SMILESCN(CCCNC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-19(14-8-3-2-4-9-14)13-7-12-18-16(20)15-10-5-6-11-17-15/h2-6,8-11H,7,12-13H2,1H3,(H,18,20)
InChIKeyLJFKOFFZUAVACL-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.34
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

2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
CID 139085666
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-[methyl-[3-(methylamino)propyl]amino]propyl]pyridine-2-carboxamide
CID 59828295
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
CID 77084137

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide (CID 31316694) is N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide is CN(CCCNC(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
The InChIKey is LJFKOFFZUAVACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(14-8-3-2-4-9-14)13-7-12-18-16(20)15-10-5-6-11-17-15/h2-6,8-11H,7,12-13H2,1H3,(H,18,20).
What are the key properties of N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 31316694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).