2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide

C15H19N5O3 — CID 73340193

IUPAC2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESNC(=O)CN1C(=O)N(Cc2ccccn2)C(=O)C2NCCCC21
InChIInChI=1S/C15H19N5O3/c16-12(21)9-19-11-5-3-7-18-13(11)14(22)20(15(19)23)8-10-4-1-2-6-17-10/h1-2,4,6,11,13,18H,3,5,7-9H2,(H2,16,21)
InChIKeyNBARYNJRMVDBCC-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.55
Rot. Bonds4

About 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide

2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 73340193) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID73340193
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESNC(=O)CN1C(=O)N(Cc2ccccn2)C(=O)C2NCCCC21
InChIInChI=1S/C15H19N5O3/c16-12(21)9-19-11-5-3-7-18-13(11)14(22)20(15(19)23)8-10-4-1-2-6-17-10/h1-2,4,6,11,13,18H,3,5,7-9H2,(H2,16,21)
InChIKeyNBARYNJRMVDBCC-UHFFFAOYSA-N
XLogP-0.55
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidine-2,4-dione
CID 156592938
2-(3-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 156591589
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-(pyridin-4-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidine-2,4-dione
CID 167997916
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]-N-benzylacetamide
CID 74535414
2-[(4aR,7aS)-3-oxo-6-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-4-yl]acetamide
CID 56775372
2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide
CID 95828021
3,6-dicyclopropyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64885072
N-(3-acetamidophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 73451765
methyl 4-[[2-[3-[(4-methylphenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 156590093
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide (CID 73340193) is 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide is NC(=O)CN1C(=O)N(Cc2ccccn2)C(=O)C2NCCCC21.
What is the InChIKey of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is NBARYNJRMVDBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c16-12(21)9-19-11-5-3-7-18-13(11)14(22)20(15(19)23)8-10-4-1-2-6-17-10/h1-2,4,6,11,13,18H,3,5,7-9H2,(H2,16,21).
What are the key properties of 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide?
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 317.35 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 73340193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).