2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide

C13H18FN3O — CID 114035087

IUPAC2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(F)cc1C(=O)NCC1CC1C
InChIInChI=1S/C13H18FN3O/c1-3-15-12-11(5-10(14)7-16-12)13(18)17-6-9-4-8(9)2/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUOMOAWWJMFSQNI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.04
Rot. Bonds5

About 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide

2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 114035087) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID114035087
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(F)cc1C(=O)NCC1CC1C
InChIInChI=1S/C13H18FN3O/c1-3-15-12-11(5-10(14)7-16-12)13(18)17-6-9-4-8(9)2/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyUOMOAWWJMFSQNI-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide
CID 114034997
2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218206
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
CID 107035038
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685133
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 63684481

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide (CID 114035087) is 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide is CCNc1ncc(F)cc1C(=O)NCC1CC1C.
What is the InChIKey of 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is UOMOAWWJMFSQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-3-15-12-11(5-10(14)7-16-12)13(18)17-6-9-4-8(9)2/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-fluoro-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114035087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).