6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride

C14H16ClFN4O — CID 129052585

IUPAC6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.NCCc1ccc(C(=O)NCc2ncccc2F)cn1
InChIInChI=1S/C14H15FN4O.ClH/c15-12-2-1-7-17-13(12)9-19-14(20)10-3-4-11(5-6-16)18-8-10;/h1-4,7-8H,5-6,9,16H2,(H,19,20);1H
InChIKeyHKLWYROTIMZQFG-UHFFFAOYSA-N
MW310.76 g/mol
LogP1.47
Rot. Bonds5

About 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride

6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 129052585) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID129052585
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.NCCc1ccc(C(=O)NCc2ncccc2F)cn1
InChIInChI=1S/C14H15FN4O.ClH/c15-12-2-1-7-17-13(12)9-19-14(20)10-3-4-11(5-6-16)18-8-10;/h1-4,7-8H,5-6,9,16H2,(H,19,20);1H
InChIKeyHKLWYROTIMZQFG-UHFFFAOYSA-N
XLogP1.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 129052705
2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052370
4-(aminomethyl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 66706887
5-cyclobutyl-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 161058919
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 129052683
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
CID 145298054
N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride (CID 129052585) is 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride is Cl.NCCc1ccc(C(=O)NCc2ncccc2F)cn1.
What is the InChIKey of 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is HKLWYROTIMZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O.ClH/c15-12-2-1-7-17-13(12)9-19-14(20)10-3-4-11(5-6-16)18-8-10;/h1-4,7-8H,5-6,9,16H2,(H,19,20);1H.
What are the key properties of 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride?
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 310.76 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 129052585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).