5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C17H20N8O3 — CID 170981056

IUPAC5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3nc4[nH]c(=O)[nH]c(=O)c4[nH]3)CC2)cn1
InChIInChI=1S/C17H20N8O3/c1-18-15(26)11-3-2-10(8-19-11)25-6-4-24(5-7-25)9-12-20-13-14(21-12)22-17(28)23-16(13)27/h2-3,8H,4-7,9H2,1H3,(H,18,26)(H3,20,21,22,23,27,28)
InChIKeyFRSFAUCINMQIOR-UHFFFAOYSA-N
MW384.40 g/mol
LogP-0.98
Rot. Bonds4

About 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170981056) has the molecular formula C17H20N8O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID170981056
Molecular FormulaC17H20N8O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3nc4[nH]c(=O)[nH]c(=O)c4[nH]3)CC2)cn1
InChIInChI=1S/C17H20N8O3/c1-18-15(26)11-3-2-10(8-19-11)25-6-4-24(5-7-25)9-12-20-13-14(21-12)22-17(28)23-16(13)27/h2-3,8H,4-7,9H2,1H3,(H,18,26)(H3,20,21,22,23,27,28)
InChIKeyFRSFAUCINMQIOR-UHFFFAOYSA-N
XLogP-0.98
TPSA142.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
5-[4-[(2,4-dioxo-1H-thieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981704
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557
5-[4-[(6-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560083
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
N-methyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166088928
N-methyl-5-[4-[(6-methyl-5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 170981093
N-methyl-5-[4-[[3-oxo-2-(2,2,2-trifluoroethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 155586953
5-[4-[(2-ethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169189739
5-[4-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982766
5-[4-[(6-ethyl-5,7-dioxo-4H-[1,3]oxazolo[4,5-d]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981145

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 170981056) is 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3nc4[nH]c(=O)[nH]c(=O)c4[nH]3)CC2)cn1.
What is the InChIKey of 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FRSFAUCINMQIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O3/c1-18-15(26)11-3-2-10(8-19-11)25-6-4-24(5-7-25)9-12-20-13-14(21-12)22-17(28)23-16(13)27/h2-3,8H,4-7,9H2,1H3,(H,18,26)(H3,20,21,22,23,27,28).
What are the key properties of 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 384.40 g/mol, XLogP of -0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170981056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).