N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide

C13H18FN3O — CID 113229925

IUPACN-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
SMILESCCN(CCNC(=O)c1ccnc(F)c1)C1CC1
InChIInChI=1S/C13H18FN3O/c1-2-17(11-3-4-11)8-7-16-13(18)10-5-6-15-12(14)9-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyXUOGUVPEIILLNP-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.43
Rot. Bonds6

About N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide

N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide (PubChem CID 113229925) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
PubChem CID113229925
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
SMILESCCN(CCNC(=O)c1ccnc(F)c1)C1CC1
InChIInChI=1S/C13H18FN3O/c1-2-17(11-3-4-11)8-7-16-13(18)10-5-6-15-12(14)9-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyXUOGUVPEIILLNP-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
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-fluoropyridine-4-carboxamide
CID 61294521
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
4-[2-[cyclopropyl(ethyl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 103739556
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62979979
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide (CID 113229925) is N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide is CCN(CCNC(=O)c1ccnc(F)c1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is XUOGUVPEIILLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-17(11-3-4-11)8-7-16-13(18)10-5-6-15-12(14)9-10/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide?
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 113229925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).