N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide

C14H14FN3O — CID 64951437

IUPACN-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESNCCc1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C14H14FN3O/c15-13-9-17-8-6-12(13)14(19)18-11-3-1-10(2-4-11)5-7-16/h1-4,6,8-9H,5,7,16H2,(H,18,19)
InChIKeyJDUVDDZFQIRGFA-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.97
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 64951437) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID64951437
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESNCCc1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C14H14FN3O/c15-13-9-17-8-6-12(13)14(19)18-11-3-1-10(2-4-11)5-7-16/h1-4,6,8-9H,5,7,16H2,(H,18,19)
InChIKeyJDUVDDZFQIRGFA-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949504
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950255
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
3-hydroxy-N-[4-(2-hydroxyethyl)phenyl]pyridine-4-carboxamide
CID 81443250
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide (CID 64951437) is N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide is NCCc1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is JDUVDDZFQIRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-13-9-17-8-6-12(13)14(19)18-11-3-1-10(2-4-11)5-7-16/h1-4,6,8-9H,5,7,16H2,(H,18,19).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64951437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).