N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C21H22N4O — CID 109236995

IUPACN-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C21H22N4O/c1-16-4-3-5-19(12-16)24-20-13-18(14-23-15-20)21(26)25(2)11-8-17-6-9-22-10-7-17/h3-7,9-10,12-15,24H,8,11H2,1-2H3
InChIKeyHPWCHGNFSXYLPY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.84
Rot. Bonds6

About N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109236995) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109236995
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C21H22N4O/c1-16-4-3-5-19(12-16)24-20-13-18(14-23-15-20)21(26)25(2)11-8-17-6-9-22-10-7-17/h3-7,9-10,12-15,24H,8,11H2,1-2H3
InChIKeyHPWCHGNFSXYLPY-UHFFFAOYSA-N
XLogP3.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331248
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109233675
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929
5-(3-acetamidoanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192922
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106467

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109236995) is N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is Cc1cccc(Nc2cncc(C(=O)N(C)CCc3ccncc3)c2)c1.
What is the InChIKey of N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is HPWCHGNFSXYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-4-3-5-19(12-16)24-20-13-18(14-23-15-20)21(26)25(2)11-8-17-6-9-22-10-7-17/h3-7,9-10,12-15,24H,8,11H2,1-2H3.
What are the key properties of N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109236995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).