N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C19H27N5O3 — CID 126439808

IUPACN-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)NC[C@@H]1CCCN(C(=O)C3CC3)C1)C2
InChIInChI=1S/C19H27N5O3/c1-12-21-16-11-24(10-15(16)18(26)22(12)2)19(27)20-8-13-4-3-7-23(9-13)17(25)14-5-6-14/h13-14H,3-11H2,1-2H3,(H,20,27)/t13-/m0/s1
InChIKeyDLWJXHFGFOMRID-ZDUSSCGKSA-N
MW373.46 g/mol
LogP0.76
Rot. Bonds3

About N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 126439808) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID126439808
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)NC[C@@H]1CCCN(C(=O)C3CC3)C1)C2
InChIInChI=1S/C19H27N5O3/c1-12-21-16-11-24(10-15(16)18(26)22(12)2)19(27)20-8-13-4-3-7-23(9-13)17(25)14-5-6-14/h13-14H,3-11H2,1-2H3,(H,20,27)/t13-/m0/s1
InChIKeyDLWJXHFGFOMRID-ZDUSSCGKSA-N
XLogP0.76
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97203694
(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
CID 97114683
2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138768
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72873270
2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97198512
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
1-(4-methylphenyl)-3-[[1-(piperidine-4-carbonyl)piperidin-3-yl]methyl]urea
CID 119310828
N-(cyclopentylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 155954949
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 126434909

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 126439808) is N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc2c(c(=O)n1C)CN(C(=O)NC[C@@H]1CCCN(C(=O)C3CC3)C1)C2.
What is the InChIKey of N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is DLWJXHFGFOMRID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12-21-16-11-24(10-15(16)18(26)22(12)2)19(27)20-8-13-4-3-7-23(9-13)17(25)14-5-6-14/h13-14H,3-11H2,1-2H3,(H,20,27)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 126439808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).