5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide

C12H15ClN4O — CID 62170876

IUPAC5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(C)CCC#N)cc1Cl
InChIInChI=1S/C12H15ClN4O/c1-3-15-11-10(13)7-9(8-16-11)12(18)17(2)6-4-5-14/h7-8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyNFYOFRRAMFMJCI-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.15
Rot. Bonds5

About 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide

5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide (PubChem CID 62170876) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
PubChem CID62170876
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)N(C)CCC#N)cc1Cl
InChIInChI=1S/C12H15ClN4O/c1-3-15-11-10(13)7-9(8-16-11)12(18)17(2)6-4-5-14/h7-8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyNFYOFRRAMFMJCI-UHFFFAOYSA-N
XLogP2.15
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.15
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-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
CID 62175880
5-chloro-6-(ethylamino)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 62180091
5-chloro-N-cyclopropyl-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 62169291
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62177921
5-chloro-6-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63838798
5-chloro-N-(2-ethoxyethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81073870
5-chloro-N-(2,2-difluoroethyl)-6-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 107485988
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide (CID 62170876) is 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide is CCNc1ncc(C(=O)N(C)CCC#N)cc1Cl.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is NFYOFRRAMFMJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-15-11-10(13)7-9(8-16-11)12(18)17(2)6-4-5-14/h7-8H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide?
5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62170876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).