5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide

C12H19ClN4O — CID 114089452

IUPAC5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C12H19ClN4O/c1-8(4-5-17(2)3)16-12(18)9-6-11(13)15-7-10(9)14/h6-8H,4-5,14H2,1-3H3,(H,16,18)
InChIKeyNCICPJZKLHPQCQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.39
Rot. Bonds5

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

5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide (PubChem CID 114089452) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
PubChem CID114089452
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C12H19ClN4O/c1-8(4-5-17(2)3)16-12(18)9-6-11(13)15-7-10(9)14/h6-8H,4-5,14H2,1-3H3,(H,16,18)
InChIKeyNCICPJZKLHPQCQ-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114089576
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
CID 114089562
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide (CID 114089452) is 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide is CC(CCN(C)C)NC(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
The InChIKey is NCICPJZKLHPQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8(4-5-17(2)3)16-12(18)9-6-11(13)15-7-10(9)14/h6-8H,4-5,14H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide?
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114089452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).