N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide

C17H19FN4O3 — CID 126751900

IUPACN-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1ncnc(C(=O)Cc2cccnc2C(=O)NC(C)(C)C)c1F
InChIInChI=1S/C17H19FN4O3/c1-17(2,3)22-15(24)13-10(6-5-7-19-13)8-11(23)14-12(18)16(25-4)21-9-20-14/h5-7,9H,8H2,1-4H3,(H,22,24)
InChIKeyYNSCANJAMMRRFR-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.97
Rot. Bonds5

About N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide

N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 126751900) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID126751900
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1ncnc(C(=O)Cc2cccnc2C(=O)NC(C)(C)C)c1F
InChIInChI=1S/C17H19FN4O3/c1-17(2,3)22-15(24)13-10(6-5-7-19-13)8-11(23)14-12(18)16(25-4)21-9-20-14/h5-7,9H,8H2,1-4H3,(H,22,24)
InChIKeyYNSCANJAMMRRFR-UHFFFAOYSA-N
XLogP1.97
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
CID 14716816
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
CID 126751913
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
N-tert-butyl-3-[2-(3-chlorophenyl)ethyl]pyridine-2-carboxamide;N-tert-butyl-3-methylpyridine-2-carboxamide
CID 159745684
N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide
CID 91292292
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
2-(2-chlorophenyl)-1-(3-methoxypyrazin-2-yl)ethanone
CID 113421495
3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110474902
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide (CID 126751900) is N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide is COc1ncnc(C(=O)Cc2cccnc2C(=O)NC(C)(C)C)c1F.
What is the InChIKey of N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is YNSCANJAMMRRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-17(2,3)22-15(24)13-10(6-5-7-19-13)8-11(23)14-12(18)16(25-4)21-9-20-14/h5-7,9H,8H2,1-4H3,(H,22,24).
What are the key properties of N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 126751900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).