3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

C14H15FN4O — CID 105384158

IUPAC3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCc2ccccn2)c1F
InChIInChI=1S/C14H15FN4O/c1-16-13-12(15)11(6-9-18-13)14(20)19-8-5-10-4-2-3-7-17-10/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZWUGRZJANJBMER-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.63
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 105384158) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID105384158
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCc2ccccn2)c1F
InChIInChI=1S/C14H15FN4O/c1-16-13-12(15)11(6-9-18-13)14(20)19-8-5-10-4-2-3-7-17-10/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZWUGRZJANJBMER-UHFFFAOYSA-N
XLogP1.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 105386573
2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2-bromo-6-fluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 115678292
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 105384158) is 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCc2ccccn2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is ZWUGRZJANJBMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-16-13-12(15)11(6-9-18-13)14(20)19-8-5-10-4-2-3-7-17-10/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105384158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).