N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide

C13H21N3O — CID 55042463

IUPACN-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)C(C)C)ccn1
InChIInChI=1S/C13H21N3O/c1-5-7-14-12-9-11(6-8-15-12)13(17)16(4)10(2)3/h6,8-10H,5,7H2,1-4H3,(H,14,15)
InChIKeyDLMCBXYIQASWKP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds5

About N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide

N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide (PubChem CID 55042463) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
PubChem CID55042463
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)C(C)C)ccn1
InChIInChI=1S/C13H21N3O/c1-5-7-14-12-9-11(6-8-15-12)13(17)16(4)10(2)3/h6,8-10H,5,7H2,1-4H3,(H,14,15)
InChIKeyDLMCBXYIQASWKP-UHFFFAOYSA-N
XLogP2.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587
N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 79864167
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-[2-(dimethylamino)-2-methylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62177285
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-(ethylamino)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115683356
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 107486059

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide (CID 55042463) is N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(C)C(C)C)ccn1.
What is the InChIKey of N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is DLMCBXYIQASWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-7-14-12-9-11(6-8-15-12)13(17)16(4)10(2)3/h6,8-10H,5,7H2,1-4H3,(H,14,15).
What are the key properties of N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide?
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 55042463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).