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

C12H19ClN4O — CID 114922789

IUPAC2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
SMILESCN(C)CCCCNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H19ClN4O/c1-17(2)6-4-3-5-15-12(18)9-7-11(14)16-8-10(9)13/h7-8H,3-6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyCOFBATORQSSDFS-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.39
Rot. Bonds6

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

2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide (PubChem CID 114922789) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
PubChem CID114922789
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
SMILESCN(C)CCCCNC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C12H19ClN4O/c1-17(2)6-4-3-5-15-12(18)9-7-11(14)16-8-10(9)13/h7-8H,3-6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyCOFBATORQSSDFS-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2-amino-5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 114922479
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 55041683
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide (CID 114922789) is 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide is CN(C)CCCCNC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide?
The InChIKey is COFBATORQSSDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-17(2)6-4-3-5-15-12(18)9-7-11(14)16-8-10(9)13/h7-8H,3-6H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 114922789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).