2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide

C19H31N5O2 — CID 95831108

IUPAC2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CN(C)C)nc2c1CCC(=O)N2CCC(C)C
InChIInChI=1S/C19H31N5O2/c1-13(2)9-10-24-17(25)8-7-15-14(3)20-16(21-19(15)24)11-23(6)18(26)12-22(4)5/h13H,7-12H2,1-6H3
InChIKeyXOAOFBPKSIPTLL-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.63
Rot. Bonds7

About 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide

2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide (PubChem CID 95831108) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide
PubChem CID95831108
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide
SMILESCc1nc(CN(C)C(=O)CN(C)C)nc2c1CCC(=O)N2CCC(C)C
InChIInChI=1S/C19H31N5O2/c1-13(2)9-10-24-17(25)8-7-15-14(3)20-16(21-19(15)24)11-23(6)18(26)12-22(4)5/h13H,7-12H2,1-6H3
InChIKeyXOAOFBPKSIPTLL-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide (CID 95831108) is 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide is Cc1nc(CN(C)C(=O)CN(C)C)nc2c1CCC(=O)N2CCC(C)C.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?
The InChIKey is XOAOFBPKSIPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-13(2)9-10-24-17(25)8-7-15-14(3)20-16(21-19(15)24)11-23(6)18(26)12-22(4)5/h13H,7-12H2,1-6H3.
What are the key properties of 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide?
2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide is sourced from PubChem (CID 95831108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).