N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide

C12H16FN3O — CID 114758967

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
SMILESNCCC1(CNC(=O)c2ccncc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-10-7-15-6-1-9(10)11(17)16-8-12(2-3-12)4-5-14/h1,6-7H,2-5,8,14H2,(H,16,17)
InChIKeyVBTUYDRDRLKXQD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.08
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 114758967) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
PubChem CID114758967
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
SMILESNCCC1(CNC(=O)c2ccncc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-10-7-15-6-1-9(10)11(17)16-8-12(2-3-12)4-5-14/h1,6-7H,2-5,8,14H2,(H,16,17)
InChIKeyVBTUYDRDRLKXQD-UHFFFAOYSA-N
XLogP1.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 114758192
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 114758838
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
3-fluoro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 115646395
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-[2-(propylamino)ethyl]pyridine-4-carboxamide
CID 64951481
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide (CID 114758967) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide is NCCC1(CNC(=O)c2ccncc2F)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is VBTUYDRDRLKXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-7-15-6-1-9(10)11(17)16-8-12(2-3-12)4-5-14/h1,6-7H,2-5,8,14H2,(H,16,17).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 114758967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).