N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

C12H17FN4O2 — CID 105385912

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1ccnc(NC)c1F
InChIInChI=1S/C12H17FN4O2/c1-4-15-11(18)7(2)17-12(19)8-5-6-16-10(14-3)9(8)13/h5-7H,4H2,1-3H3,(H,14,16)(H,15,18)(H,17,19)
InChIKeyBLZCGDDSQRSBPO-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.52
Rot. Bonds5

About N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 105385912) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
PubChem CID105385912
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1ccnc(NC)c1F
InChIInChI=1S/C12H17FN4O2/c1-4-15-11(18)7(2)17-12(19)8-5-6-16-10(14-3)9(8)13/h5-7H,4H2,1-3H3,(H,14,16)(H,15,18)(H,17,19)
InChIKeyBLZCGDDSQRSBPO-UHFFFAOYSA-N
XLogP0.52
TPSA83.12 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 ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105388578
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
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 55046150
3-fluoro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105386525
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388576
3-fluoro-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295596
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195
3-fluoro-2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 105385704
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105385748
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide (CID 105385912) is N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is CCNC(=O)C(C)NC(=O)c1ccnc(NC)c1F.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is BLZCGDDSQRSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-4-15-11(18)7(2)17-12(19)8-5-6-16-10(14-3)9(8)13/h5-7H,4H2,1-3H3,(H,14,16)(H,15,18)(H,17,19).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105385912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).