2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide

C10H13F2N3O2 — CID 104844460

IUPAC2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC(O)C(F)F)ccn1
InChIInChI=1S/C10H13F2N3O2/c11-9(12)8(16)5-15-10(17)6-1-2-14-7(3-6)4-13/h1-3,8-9,16H,4-5,13H2,(H,15,17)
InChIKeyJBROCCCZLYWTHK-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.10
Rot. Bonds5

About 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 104844460) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
PubChem CID104844460
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC(O)C(F)F)ccn1
InChIInChI=1S/C10H13F2N3O2/c11-9(12)8(16)5-15-10(17)6-1-2-14-7(3-6)4-13/h1-3,8-9,16H,4-5,13H2,(H,15,17)
InChIKeyJBROCCCZLYWTHK-UHFFFAOYSA-N
XLogP-0.10
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114326553
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
(3S)-3-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 114326702
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide (CID 104844460) is 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide is NCc1cc(C(=O)NCC(O)C(F)F)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is JBROCCCZLYWTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-9(12)8(16)5-15-10(17)6-1-2-14-7(3-6)4-13/h1-3,8-9,16H,4-5,13H2,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 245.23 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 104844460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).