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

C14H16N4O2 — CID 121119568

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2ccccn2)cn1
InChIInChI=1S/C14H16N4O2/c1-2-11-9-13(19)18(10-17-11)8-7-16-14(20)12-5-3-4-6-15-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,20)
InChIKeyCVVAEKQMKKRJPJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.63
Rot. Bonds5

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

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 121119568) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID121119568
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2ccccn2)cn1
InChIInChI=1S/C14H16N4O2/c1-2-11-9-13(19)18(10-17-11)8-7-16-14(20)12-5-3-4-6-15-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,20)
InChIKeyCVVAEKQMKKRJPJ-UHFFFAOYSA-N
XLogP0.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 121119752
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121119862
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121119799
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119506
2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119643
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121119662
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119543
1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121119868

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide (CID 121119568) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide is CCc1cc(=O)n(CCNC(=O)c2ccccn2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is CVVAEKQMKKRJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-11-9-13(19)18(10-17-11)8-7-16-14(20)12-5-3-4-6-15-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,20).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 121119568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).