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

C15H25ClN4O — CID 62177024

IUPAC3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NC(C)CCN(C)C)n1
InChIInChI=1S/C15H25ClN4O/c1-5-9-17-13-7-6-12(16)14(19-13)15(21)18-11(2)8-10-20(3)4/h6-7,11H,5,8-10H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyQCNCCENTYAJZBN-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.63
Rot. Bonds8

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

3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62177024) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID62177024
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)NC(C)CCN(C)C)n1
InChIInChI=1S/C15H25ClN4O/c1-5-9-17-13-7-6-12(16)14(19-13)15(21)18-11(2)8-10-20(3)4/h6-7,11H,5,8-10H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyQCNCCENTYAJZBN-UHFFFAOYSA-N
XLogP2.63
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62179080
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
CID 62200974
6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 80807099
3-chloro-6-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 55047136
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide (CID 62177024) is 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)NC(C)CCN(C)C)n1.
What is the InChIKey of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is QCNCCENTYAJZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-5-9-17-13-7-6-12(16)14(19-13)15(21)18-11(2)8-10-20(3)4/h6-7,11H,5,8-10H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 312.85 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62177024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).