N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

C17H27N5O3 — CID 137025328

IUPACN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCOCCN1CCCC(CNC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)C1
InChIInChI=1S/C17H27N5O3/c1-12-19-15-11-22(10-14(15)16(23)20-12)17(24)18-8-13-4-3-5-21(9-13)6-7-25-2/h13H,3-11H2,1-2H3,(H,18,24)(H,19,20,23)
InChIKeyUWOYVSPPUXAWHR-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.46
Rot. Bonds5

About N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 137025328) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID137025328
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCOCCN1CCCC(CNC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)C1
InChIInChI=1S/C17H27N5O3/c1-12-19-15-11-22(10-14(15)16(23)20-12)17(24)18-8-13-4-3-5-21(9-13)6-7-25-2/h13H,3-11H2,1-2H3,(H,18,24)(H,19,20,23)
InChIKeyUWOYVSPPUXAWHR-UHFFFAOYSA-N
XLogP0.46
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-6-{[(3R*,5R*)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72920554
N-{[1-(cyclopropylcarbonyl)piperidin-3-yl]methyl}-2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 121504764
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439807
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439808
1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 136930331
2-methyl-6-(4-morpholin-4-ylpentanoyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136948050
2-(1-Methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 137015060
2-methyl-4-oxo-N-(2-piperidin-1-ylbutyl)-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137028660
2-methyl-4-oxo-N-[(2R)-2-piperidin-1-ylbutyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137043806
2-methyl-4-oxo-N-[(2S)-2-piperidin-1-ylbutyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137043807
2-methyl-N-[(3R)-3-methylpentyl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137086623
2-methyl-N-[(3S)-3-methylpentyl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137086624

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 137025328) is N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is COCCN1CCCC(CNC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is UWOYVSPPUXAWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12-19-15-11-22(10-14(15)16(23)20-12)17(24)18-8-13-4-3-5-21(9-13)6-7-25-2/h13H,3-11H2,1-2H3,(H,18,24)(H,19,20,23).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 137025328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).