2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide

C12H17FN4O2 — CID 105387280

IUPAC2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H17FN4O2/c1-7(2)17-9(18)4-6-16-12(19)8-3-5-15-11(14)10(8)13/h3,5,7H,4,6H2,1-2H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyKUARUMWDAXVBSS-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.45
Rot. Bonds5

About 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide

2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide (PubChem CID 105387280) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
PubChem CID105387280
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H17FN4O2/c1-7(2)17-9(18)4-6-16-12(19)8-3-5-15-11(14)10(8)13/h3,5,7H,4,6H2,1-2H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyKUARUMWDAXVBSS-UHFFFAOYSA-N
XLogP0.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105387034
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
CID 105387071
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide
CID 106241159
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide (CID 105387280) is 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide is CC(C)NC(=O)CCNC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
The InChIKey is KUARUMWDAXVBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-7(2)17-9(18)4-6-16-12(19)8-3-5-15-11(14)10(8)13/h3,5,7H,4,6H2,1-2H3,(H2,14,15)(H,16,19)(H,17,18).
What are the key properties of 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 105387280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).