N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide

C15H22FN3O — CID 60565522

IUPACN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
SMILESCN(C)CCN(C(=O)c1ccnc(F)c1)C1CCCC1
InChIInChI=1S/C15H22FN3O/c1-18(2)9-10-19(13-5-3-4-6-13)15(20)12-7-8-17-14(16)11-12/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyJSKWTWKKXZZXRU-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.17
Rot. Bonds5

About N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide (PubChem CID 60565522) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
PubChem CID60565522
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
SMILESCN(C)CCN(C(=O)c1ccnc(F)c1)C1CCCC1
InChIInChI=1S/C15H22FN3O/c1-18(2)9-10-19(13-5-3-4-6-13)15(20)12-7-8-17-14(16)11-12/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyJSKWTWKKXZZXRU-UHFFFAOYSA-N
XLogP2.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55010203
3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 60954447
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
CID 119070496
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
CID 106752285
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 103752787

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide (CID 60565522) is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide is CN(C)CCN(C(=O)c1ccnc(F)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is JSKWTWKKXZZXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-18(2)9-10-19(13-5-3-4-6-13)15(20)12-7-8-17-14(16)11-12/h7-8,11,13H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide?
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 60565522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).