N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide

C18H23N3O — CID 109217712

IUPACN-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cccc(C)c2)ccn1
InChIInChI=1S/C18H23N3O/c1-4-5-11-21(3)18(22)17-13-16(9-10-19-17)20-15-8-6-7-14(2)12-15/h6-10,12-13H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyIEPINUYDDINMGJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.01
Rot. Bonds6

About N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide

N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide (PubChem CID 109217712) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
PubChem CID109217712
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cccc(C)c2)ccn1
InChIInChI=1S/C18H23N3O/c1-4-5-11-21(3)18(22)17-13-16(9-10-19-17)20-15-8-6-7-14(2)12-15/h6-10,12-13H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyIEPINUYDDINMGJ-UHFFFAOYSA-N
XLogP4.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 34421744
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
CID 109217787
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
N-butyl-2-(3-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109312393
2-(3-acetamidoanilino)-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109312376
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide (CID 109217712) is N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(Nc2cccc(C)c2)ccn1.
What is the InChIKey of N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide?
The InChIKey is IEPINUYDDINMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-5-11-21(3)18(22)17-13-16(9-10-19-17)20-15-8-6-7-14(2)12-15/h6-10,12-13H,4-5,11H2,1-3H3,(H,19,20).
What are the key properties of N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide?
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109217712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).