5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C15H17ClN4O — CID 62180547

IUPAC5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C15H17ClN4O/c1-3-20(10-11-4-6-18-7-5-11)15(21)12-8-13(16)14(17-2)19-9-12/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyQDZOKTSQYIFMFU-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.83
Rot. Bonds5

About 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 62180547) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID62180547
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C15H17ClN4O/c1-3-20(10-11-4-6-18-7-5-11)15(21)12-8-13(16)14(17-2)19-9-12/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyQDZOKTSQYIFMFU-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 62180547) is 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CCN(Cc1ccncc1)C(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QDZOKTSQYIFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-20(10-11-4-6-18-7-5-11)15(21)12-8-13(16)14(17-2)19-9-12/h4-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-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-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62180547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).