3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

C14H23ClN4O — CID 106050247

IUPAC3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H23ClN4O/c1-10(2)19(4)9-5-8-17-14(20)13-11(15)6-7-12(16-3)18-13/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyYYUKGGSDZDLMIR-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.24
Rot. Bonds7

About 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide

3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (PubChem CID 106050247) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
PubChem CID106050247
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCCCN(C)C(C)C)n1
InChIInChI=1S/C14H23ClN4O/c1-10(2)19(4)9-5-8-17-14(20)13-11(15)6-7-12(16-3)18-13/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyYYUKGGSDZDLMIR-UHFFFAOYSA-N
XLogP2.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide
CID 62248018
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62179799
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
3-chloro-N-methyl-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55046771
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 55047188
3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113473020

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide (CID 106050247) is 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCCCN(C)C(C)C)n1.
What is the InChIKey of 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is YYUKGGSDZDLMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-10(2)19(4)9-5-8-17-14(20)13-11(15)6-7-12(16-3)18-13/h6-7,10H,5,8-9H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide?
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 298.82 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 106050247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).