5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide

C15H25ClN4O — CID 62175880

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cnc(NCC)c(Cl)c1
InChIInChI=1S/C15H25ClN4O/c1-5-7-20(9-8-19(3)4)15(21)12-10-13(16)14(17-6-2)18-11-12/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeySVFXKZPKJAOUJU-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.58
Rot. Bonds8

About 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide

5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide (PubChem CID 62175880) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
PubChem CID62175880
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cnc(NCC)c(Cl)c1
InChIInChI=1S/C15H25ClN4O/c1-5-7-20(9-8-19(3)4)15(21)12-10-13(16)14(17-6-2)18-11-12/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeySVFXKZPKJAOUJU-UHFFFAOYSA-N
XLogP2.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62180091
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62170876
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483
5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 107485988
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
5,6-dichloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60742567
5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82960917
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(ethylamino)pyridine-3-carboxamide
CID 64522048
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180209
5-chloro-6-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63838798

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide (CID 62175880) is 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide is CCCN(CCN(C)C)C(=O)c1cnc(NCC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide?
The InChIKey is SVFXKZPKJAOUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-5-7-20(9-8-19(3)4)15(21)12-10-13(16)14(17-6-2)18-11-12/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide?
5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide has a molecular weight of 312.85 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 62175880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).