N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C22H28N6O3 — CID 55620756

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(N(C)C)nc3)cc(C(C)C)nc21
InChIInChI=1S/C22H28N6O3/c1-6-9-28-19-18(21(30)26-22(28)31)15(10-16(25-19)13(2)3)20(29)24-12-14-7-8-17(23-11-14)27(4)5/h7-8,10-11,13H,6,9,12H2,1-5H3,(H,24,29)(H,26,30,31)
InChIKeyABUZJJRVKCYJQK-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.01
Rot. Bonds7

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55620756) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55620756
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(N(C)C)nc3)cc(C(C)C)nc21
InChIInChI=1S/C22H28N6O3/c1-6-9-28-19-18(21(30)26-22(28)31)15(10-16(25-19)13(2)3)20(29)24-12-14-7-8-17(23-11-14)27(4)5/h7-8,10-11,13H,6,9,12H2,1-5H3,(H,24,29)(H,26,30,31)
InChIKeyABUZJJRVKCYJQK-UHFFFAOYSA-N
XLogP2.01
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-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

N-(furan-3-ylmethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55962585
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55639059
2,4-dioxo-7-propan-2-yl-1-propyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55964513
N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119384530
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119642692
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55963151
N-[2-(4-methylphenyl)sulfanylethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55569397
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 56537653
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 36599162
N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267672

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55620756) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(N(C)C)nc3)cc(C(C)C)nc21.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ABUZJJRVKCYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-6-9-28-19-18(21(30)26-22(28)31)15(10-16(25-19)13(2)3)20(29)24-12-14-7-8-17(23-11-14)27(4)5/h7-8,10-11,13H,6,9,12H2,1-5H3,(H,24,29)(H,26,30,31).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55620756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).