N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C15H23FN4O — CID 105386266

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCN(C)C2CCCC2)c1F
InChIInChI=1S/C15H23FN4O/c1-17-14-13(16)12(7-8-18-14)15(21)19-9-10-20(2)11-5-3-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyFLKQIKPUEQPOBP-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.87
Rot. Bonds6

About N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105386266) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105386266
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCN(C)C2CCCC2)c1F
InChIInChI=1S/C15H23FN4O/c1-17-14-13(16)12(7-8-18-14)15(21)19-9-10-20(2)11-5-3-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyFLKQIKPUEQPOBP-UHFFFAOYSA-N
XLogP1.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 63316487
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105386266) is N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCN(C)C2CCCC2)c1F.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is FLKQIKPUEQPOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-17-14-13(16)12(7-8-18-14)15(21)19-9-10-20(2)11-5-3-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105386266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).