N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C13H21FN4O — CID 105385470

IUPACN-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCN(C)C)c1F
InChIInChI=1S/C13H21FN4O/c1-15-12-11(14)10(6-8-16-12)13(19)17-7-4-5-9-18(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyUJSPXTBIUKQVJB-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.33
Rot. Bonds7

About N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385470) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385470
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC NameN-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCN(C)C)c1F
InChIInChI=1S/C13H21FN4O/c1-15-12-11(14)10(6-8-16-12)13(19)17-7-4-5-9-18(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyUJSPXTBIUKQVJB-UHFFFAOYSA-N
XLogP1.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.33
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-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 105384158
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241
3-fluoro-2-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105387292

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105385470) is N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCCCN(C)C)c1F.
What is the InChIKey of N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is UJSPXTBIUKQVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-15-12-11(14)10(6-8-16-12)13(19)17-7-4-5-9-18(2)3/h6,8H,4-5,7,9H2,1-3H3,(H,15,16)(H,17,19).
What are the key properties of N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).