2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide

C17H21N3O — CID 119431609

IUPAC2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C17H21N3O/c1-13-15(17(21)19-12-6-11-18-2)9-10-16(20-13)14-7-4-3-5-8-14/h3-5,7-10,18H,6,11-12H2,1-2H3,(H,19,21)
InChIKeyUNECVGZTAGWFOF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.40
Rot. Bonds6

About 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide

2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide (PubChem CID 119431609) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
PubChem CID119431609
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(-c2ccccc2)nc1C
InChIInChI=1S/C17H21N3O/c1-13-15(17(21)19-12-6-11-18-2)9-10-16(20-13)14-7-4-3-5-8-14/h3-5,7-10,18H,6,11-12H2,1-2H3,(H,19,21)
InChIKeyUNECVGZTAGWFOF-UHFFFAOYSA-N
XLogP2.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide (CID 119431609) is 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide is CNCCCNC(=O)c1ccc(-c2ccccc2)nc1C.
What is the InChIKey of 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is UNECVGZTAGWFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-15(17(21)19-12-6-11-18-2)9-10-16(20-13)14-7-4-3-5-8-14/h3-5,7-10,18H,6,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide?
2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylamino)propyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 119431609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).