5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

C15H17ClN4O — CID 114922658

IUPAC5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C15H17ClN4O/c1-3-20(10-11-4-6-18-7-5-11)15(21)12-8-14(17-2)19-9-13(12)16/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyOMPMZLQGXHRIAJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.83
Rot. Bonds5

About 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 114922658) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID114922658
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C15H17ClN4O/c1-3-20(10-11-4-6-18-7-5-11)15(21)12-8-14(17-2)19-9-13(12)16/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyOMPMZLQGXHRIAJ-UHFFFAOYSA-N
XLogP2.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180547
5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114922855
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 58897089
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 114924043
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
5-chloro-N-(4-ethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 114922658) is 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is OMPMZLQGXHRIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-20(10-11-4-6-18-7-5-11)15(21)12-8-14(17-2)19-9-13(12)16/h4-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).