2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide

C12H17FN4O2 — CID 105387071

IUPAC2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H17FN4O2/c1-12(2,3)17-8(18)6-16-11(19)7-4-5-15-10(14)9(7)13/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyDVNLFVTYFOSGJV-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.45
Rot. Bonds3

About 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide (PubChem CID 105387071) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
PubChem CID105387071
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C12H17FN4O2/c1-12(2,3)17-8(18)6-16-11(19)7-4-5-15-10(14)9(7)13/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyDVNLFVTYFOSGJV-UHFFFAOYSA-N
XLogP0.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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

N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072
2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 105384278
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
CID 26456826
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
2-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423000
N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide
CID 115357279
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide (CID 105387071) is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is DVNLFVTYFOSGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-12(2,3)17-8(18)6-16-11(19)7-4-5-15-10(14)9(7)13/h4-5H,6H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide?
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105387071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).