N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide

C13H14N4O2 — CID 121119194

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cccnc2)cn1
InChIInChI=1S/C13H14N4O2/c1-10-7-12(18)17(9-16-10)6-5-15-13(19)11-3-2-4-14-8-11/h2-4,7-9H,5-6H2,1H3,(H,15,19)
InChIKeyHVODNJHXDVTRCS-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.38
Rot. Bonds4

About N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 121119194) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID121119194
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cccnc2)cn1
InChIInChI=1S/C13H14N4O2/c1-10-7-12(18)17(9-16-10)6-5-15-13(19)11-3-2-4-14-8-11/h2-4,7-9H,5-6H2,1H3,(H,15,19)
InChIKeyHVODNJHXDVTRCS-UHFFFAOYSA-N
XLogP0.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-yloxyacetamide
CID 121119286
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-methylsulfanylbenzamide
CID 121119327
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
5-methyl-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 121119306
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate
CID 174336892
2-(4-benzoylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119254
5-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121119296
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide (CID 121119194) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide is Cc1cc(=O)n(CCNC(=O)c2cccnc2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is HVODNJHXDVTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-10-7-12(18)17(9-16-10)6-5-15-13(19)11-3-2-4-14-8-11/h2-4,7-9H,5-6H2,1H3,(H,15,19).
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 121119194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).