(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide

C22H30N4O3S — CID 92620158

IUPAC(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C22H30N4O3S/c1-5-16(2)30(28,29)25(4)15-20-23-17(3)19-11-12-21(27)26(22(19)24-20)14-13-18-9-7-6-8-10-18/h6-10,16H,5,11-15H2,1-4H3/t16-/m1/s1
InChIKeyAOFCPBVJFMNZCN-MRXNPFEDSA-N
MW430.57 g/mol
LogP2.87
Rot. Bonds8

About (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide

(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide (PubChem CID 92620158) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide
PubChem CID92620158
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC Name(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C22H30N4O3S/c1-5-16(2)30(28,29)25(4)15-20-23-17(3)19-11-12-21(27)26(22(19)24-20)14-13-18-9-7-6-8-10-18/h6-10,16H,5,11-15H2,1-4H3/t16-/m1/s1
InChIKeyAOFCPBVJFMNZCN-MRXNPFEDSA-N
XLogP2.87
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide?
The IUPAC name of (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide (CID 92620158) is (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide.
What is the SMILES notation for (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide?
The canonical SMILES for (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide is CC[C@@H](C)S(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2.
What is the InChIKey of (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide?
The InChIKey is AOFCPBVJFMNZCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-5-16(2)30(28,29)25(4)15-20-23-17(3)19-11-12-21(27)26(22(19)24-20)14-13-18-9-7-6-8-10-18/h6-10,16H,5,11-15H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide?
(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide has a molecular weight of 430.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide is sourced from PubChem (CID 92620158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).