N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide

C20H23N5O3 — CID 154736919

IUPACN-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(C)n(CC2CCCO2)c2ncnc(NC(=O)c3cccn(C)c3=O)c12
InChIInChI=1S/C20H23N5O3/c1-12-13(2)25(10-14-6-5-9-28-14)18-16(12)17(21-11-22-18)23-19(26)15-7-4-8-24(3)20(15)27/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,21,22,23,26)
InChIKeyHXIFTNFBDZIMJC-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.18
Rot. Bonds4

About N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide

N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 154736919) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID154736919
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(C)n(CC2CCCO2)c2ncnc(NC(=O)c3cccn(C)c3=O)c12
InChIInChI=1S/C20H23N5O3/c1-12-13(2)25(10-14-6-5-9-28-14)18-16(12)17(21-11-22-18)23-19(26)15-7-4-8-24(3)20(15)27/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,21,22,23,26)
InChIKeyHXIFTNFBDZIMJC-UHFFFAOYSA-N
XLogP2.18
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyloxy-N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]acetamide
CID 154785175
1-[5,6-dimethyl-7-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]-3-(4-methoxybutyl)urea
CID 100720101
N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 126774787
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
N-[3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-methylbenzamide
CID 40893529
1-methyl-N-[2-(2-methylpropyl)oxan-3-yl]-2-oxopyridine-3-carboxamide
CID 136532633
methyl 1-oxo-2-(oxolan-2-ylmethyl)isoquinoline-4-carboxylate
CID 177224111
7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498745
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007734
N-cyclohexyl-6-imino-11-methyl-2-oxo-7-[[(2R)-oxolan-2-yl]methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077376
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2926784

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide (CID 154736919) is N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide is Cc1c(C)n(CC2CCCO2)c2ncnc(NC(=O)c3cccn(C)c3=O)c12.
What is the InChIKey of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is HXIFTNFBDZIMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-13(2)25(10-14-6-5-9-28-14)18-16(12)17(21-11-22-18)23-19(26)15-7-4-8-24(3)20(15)27/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,21,22,23,26).
What are the key properties of N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 154736919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).