5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide

C13H21ClN4O — CID 55046864

IUPAC5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)CCN(C)C)cc1Cl
InChIInChI=1S/C13H21ClN4O/c1-9(5-6-18(3)4)17-13(19)10-7-11(14)12(15-2)16-8-10/h7-9H,5-6H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyJNSGBUTWKCMPOW-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.85
Rot. Bonds6

About 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide (PubChem CID 55046864) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
PubChem CID55046864
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)CCN(C)C)cc1Cl
InChIInChI=1S/C13H21ClN4O/c1-9(5-6-18(3)4)17-13(19)10-7-11(14)12(15-2)16-8-10/h7-9H,5-6H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyJNSGBUTWKCMPOW-UHFFFAOYSA-N
XLogP1.85
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-carboxylic acid
CID 54968190
N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106347150
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide (CID 55046864) is 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NC(C)CCN(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is JNSGBUTWKCMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9(5-6-18(3)4)17-13(19)10-7-11(14)12(15-2)16-8-10/h7-9H,5-6H2,1-4H3,(H,15,16)(H,17,19).
What are the key properties of 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55046864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).