3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide

C13H16FN5O — CID 105385748

IUPAC3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)Cn2ccnc2)c1F
InChIInChI=1S/C13H16FN5O/c1-9(7-19-6-5-16-8-19)18-13(20)10-3-4-17-12(15-2)11(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,17)(H,18,20)
InChIKeyRNIJRRLGJIRSMU-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.28
Rot. Bonds5

About 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide

3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385748) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385748
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)Cn2ccnc2)c1F
InChIInChI=1S/C13H16FN5O/c1-9(7-19-6-5-16-8-19)18-13(20)10-3-4-17-12(15-2)11(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,17)(H,18,20)
InChIKeyRNIJRRLGJIRSMU-UHFFFAOYSA-N
XLogP1.28
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 105386606
3-fluoro-2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105386176
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
N-(1-imidazol-1-ylpropan-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069520
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62178273
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide (CID 105385748) is 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide is CNc1nccc(C(=O)NC(C)Cn2ccnc2)c1F.
What is the InChIKey of 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is RNIJRRLGJIRSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-9(7-19-6-5-16-8-19)18-13(20)10-3-4-17-12(15-2)11(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,17)(H,18,20).
What are the key properties of 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide?
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).