2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide

C13H16FN5O — CID 105387234

IUPAC2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H16FN5O/c1-3-10-8(7-19(2)18-10)6-17-13(20)9-4-5-16-12(15)11(9)14/h4-5,7H,3,6H2,1-2H3,(H2,15,16)(H,17,20)
InChIKeyCNZRXSTUXCBCRQ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.03
Rot. Bonds4

About 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide

2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 105387234) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
PubChem CID105387234
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H16FN5O/c1-3-10-8(7-19(2)18-10)6-17-13(20)9-4-5-16-12(15)11(9)14/h4-5,7H,3,6H2,1-2H3,(H2,15,16)(H,17,20)
InChIKeyCNZRXSTUXCBCRQ-UHFFFAOYSA-N
XLogP1.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072426
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 75399289
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide (CID 105387234) is 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide is CCc1nn(C)cc1CNC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CNZRXSTUXCBCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-3-10-8(7-19(2)18-10)6-17-13(20)9-4-5-16-12(15)11(9)14/h4-5,7H,3,6H2,1-2H3,(H2,15,16)(H,17,20).
What are the key properties of 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide?
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105387234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).