N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide

C13H18FN3O — CID 107358520

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cccnc1F
InChIInChI=1S/C13H18FN3O/c1-2-17-8-4-5-10(17)9-16-13(18)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)
InChIKeyPMKWTYWBWBTYJR-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.43
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide (PubChem CID 107358520) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
PubChem CID107358520
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cccnc1F
InChIInChI=1S/C13H18FN3O/c1-2-17-8-4-5-10(17)9-16-13(18)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)
InChIKeyPMKWTYWBWBTYJR-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62165371
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide
CID 54166911
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 70549576
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide (CID 107358520) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide is CCN1CCCC1CNC(=O)c1cccnc1F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is PMKWTYWBWBTYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-17-8-4-5-10(17)9-16-13(18)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).