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

C19H30N6O2 — CID 137108513

IUPAC2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)NC1CCN(C3CCN(C)CC3)CC1)C2
InChIInChI=1S/C19H30N6O2/c1-13-20-17-12-25(11-16(17)18(26)21-13)19(27)22-14-3-9-24(10-4-14)15-5-7-23(2)8-6-15/h14-15H,3-12H2,1-2H3,(H,22,27)(H,20,21,26)
InChIKeyOEDUZPNHHMUTDL-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.66
Rot. Bonds2

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

2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 137108513) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID137108513
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)NC1CCN(C3CCN(C)CC3)CC1)C2
InChIInChI=1S/C19H30N6O2/c1-13-20-17-12-25(11-16(17)18(26)21-13)19(27)22-14-3-9-24(10-4-14)15-5-7-23(2)8-6-15/h14-15H,3-12H2,1-2H3,(H,22,27)(H,20,21,26)
InChIKeyOEDUZPNHHMUTDL-UHFFFAOYSA-N
XLogP0.66
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
CID 135674466
2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide formate
CID 119060976
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
6-[(1-isopropyl-3-piperidinyl)carbonyl]-2-methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136217041
2-(3-aminopiperidin-1-yl)-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,5-dione
CID 136319864
2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136831941
2-methyl-6-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136831942
2-[(1,4-Dimethylpiperazin-2-yl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941394
N-{[1-(2-methoxyethyl)piperidin-3-yl]methyl}-2-methyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137025328
2-methyl-4-oxo-N-(2-piperidin-1-ylbutyl)-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137028660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 137108513) is 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc2c(c(=O)[nH]1)CN(C(=O)NC1CCN(C3CCN(C)CC3)CC1)C2.
What is the InChIKey of 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is OEDUZPNHHMUTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-13-20-17-12-25(11-16(17)18(26)21-13)19(27)22-14-3-9-24(10-4-14)15-5-7-23(2)8-6-15/h14-15H,3-12H2,1-2H3,(H,22,27)(H,20,21,26).
What are the key properties of 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 137108513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).