N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide

C12H16FN3O — CID 113265701

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide
SMILESCC(CN)(NC(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C12H16FN3O/c1-12(7-14,9-2-3-9)16-11(17)8-4-10(13)6-15-5-8/h4-6,9H,2-3,7,14H2,1H3,(H,16,17)
InChIKeyXJAAYLLKRDKXIO-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.08
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide (PubChem CID 113265701) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide
PubChem CID113265701
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide
SMILESCC(CN)(NC(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C12H16FN3O/c1-12(7-14,9-2-3-9)16-11(17)8-4-10(13)6-15-5-8/h4-6,9H,2-3,7,14H2,1H3,(H,16,17)
InChIKeyXJAAYLLKRDKXIO-UHFFFAOYSA-N
XLogP1.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide (CID 113265701) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide is CC(CN)(NC(=O)c1cncc(F)c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide?
The InChIKey is XJAAYLLKRDKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-12(7-14,9-2-3-9)16-11(17)8-4-10(13)6-15-5-8/h4-6,9H,2-3,7,14H2,1H3,(H,16,17).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 113265701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).