5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide

C16H18ClN3O — CID 114922855

IUPAC5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cc(NC)ncc2Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-4-11-5-7-12(8-6-11)20(3)16(21)13-9-15(18-2)19-10-14(13)17/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyWQMRCPJMNMCCAH-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114922855) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID114922855
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cc(NC)ncc2Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-4-11-5-7-12(8-6-11)20(3)16(21)13-9-15(18-2)19-10-14(13)17/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyWQMRCPJMNMCCAH-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921935
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 114922724
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 114922658
6-(ethylamino)-N-(4-ethylphenyl)-N-methylpyridine-3-carboxamide
CID 62175324
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 102636807
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-(ethylamino)-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 107375022
5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 114924043
5-chloro-N-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 114921836
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide (CID 114922855) is 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is CCc1ccc(N(C)C(=O)c2cc(NC)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is WQMRCPJMNMCCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-4-11-5-7-12(8-6-11)20(3)16(21)13-9-15(18-2)19-10-14(13)17/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).