2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide

C12H14FN5O — CID 106049941

IUPAC2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(F)cnc2N)cnn1C
InChIInChI=1S/C12H14FN5O/c1-7-8(5-17-18(7)2)4-16-12(19)10-3-9(13)6-15-11(10)14/h3,5-6H,4H2,1-2H3,(H2,14,15)(H,16,19)
InChIKeyBPFNYHYUQDLEFK-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.77
Rot. Bonds3

About 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide

2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 106049941) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
PubChem CID106049941
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
SMILESCc1c(CNC(=O)c2cc(F)cnc2N)cnn1C
InChIInChI=1S/C12H14FN5O/c1-7-8(5-17-18(7)2)4-16-12(19)10-3-9(13)6-15-11(10)14/h3,5-6H,4H2,1-2H3,(H2,14,15)(H,16,19)
InChIKeyBPFNYHYUQDLEFK-UHFFFAOYSA-N
XLogP0.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 106032747
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 103860977
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103187314
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-fluoro-2-methylbenzamide
CID 79524292
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
CID 146075789
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-hydrazinylbenzamide
CID 106040107
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide (CID 106049941) is 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide is Cc1c(CNC(=O)c2cc(F)cnc2N)cnn1C.
What is the InChIKey of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is BPFNYHYUQDLEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-7-8(5-17-18(7)2)4-16-12(19)10-3-9(13)6-15-11(10)14/h3,5-6H,4H2,1-2H3,(H2,14,15)(H,16,19).
What are the key properties of 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide?
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 106049941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).