2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide

C14H21FN4O — CID 105387682

IUPAC2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
SMILESCN1CCC(CCNC(=O)c2ccnc(N)c2F)CC1
InChIInChI=1S/C14H21FN4O/c1-19-8-4-10(5-9-19)2-6-18-14(20)11-3-7-17-13(16)12(11)15/h3,7,10H,2,4-6,8-9H2,1H3,(H2,16,17)(H,18,20)
InChIKeyKMULBCOOIPIMSZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide

2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105387682) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID105387682
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
SMILESCN1CCC(CCNC(=O)c2ccnc(N)c2F)CC1
InChIInChI=1S/C14H21FN4O/c1-19-8-4-10(5-9-19)2-6-18-14(20)11-3-7-17-13(16)12(11)15/h3,7,10H,2,4-6,8-9H2,1H3,(H2,16,17)(H,18,20)
InChIKeyKMULBCOOIPIMSZ-UHFFFAOYSA-N
XLogP1.26
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-amino-N-(1,3-dimethylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 105387679
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115678882
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514863
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide (CID 105387682) is 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide is CN1CCC(CCNC(=O)c2ccnc(N)c2F)CC1.
What is the InChIKey of 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is KMULBCOOIPIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-19-8-4-10(5-9-19)2-6-18-14(20)11-3-7-17-13(16)12(11)15/h3,7,10H,2,4-6,8-9H2,1H3,(H2,16,17)(H,18,20).
What are the key properties of 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105387682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).