(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C26H28N6O6 — CID 90804236

IUPAC(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCNC(=O)Nc1ccc(Cn2c(=O)[nH]c3c(c2=O)C=C(C(=O)OCc2ccnc(OC)c2)CN3C)cc1
InChIInChI=1S/C26H28N6O6/c1-4-27-25(35)29-19-7-5-16(6-8-19)13-32-23(33)20-12-18(14-31(2)22(20)30-26(32)36)24(34)38-15-17-9-10-28-21(11-17)37-3/h5-12H,4,13-15H2,1-3H3,(H,30,36)(H2,27,29,35)
InChIKeyIWPCLKADQNHYSB-UHFFFAOYSA-N
MW520.55 g/mol
LogP1.71
Rot. Bonds8

About (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 90804236) has the molecular formula C26H28N6O6 and a molecular weight of 520.55 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID90804236
Molecular FormulaC26H28N6O6
Molecular Weight520.55 g/mol
Exact Mass520.21
IUPAC Name(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCNC(=O)Nc1ccc(Cn2c(=O)[nH]c3c(c2=O)C=C(C(=O)OCc2ccnc(OC)c2)CN3C)cc1
InChIInChI=1S/C26H28N6O6/c1-4-27-25(35)29-19-7-5-16(6-8-19)13-32-23(33)20-12-18(14-31(2)22(20)30-26(32)36)24(34)38-15-17-9-10-28-21(11-17)37-3/h5-12H,4,13-15H2,1-3H3,(H,30,36)(H2,27,29,35)
InChIKeyIWPCLKADQNHYSB-UHFFFAOYSA-N
XLogP1.71
TPSA147.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.55
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate 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

3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 10322434
(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-1-methyl-2,4,7-trioxo-8H-pyrimido[5,4-b][1,4]thiazine-6-carboxylate
CID 91221288
(2-methoxy-4-pyridinyl)methyl 3-[(3,5-difluoro-4-hydroxyphenyl)methyl]-1-methyl-2,4-dioxo-7H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 91415877
3-benzyl-N-[(2-methoxy-4-pyridinyl)methyl]-1,8-dimethyl-2,4-dioxo-7H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 90998405
1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87009935
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508
5-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 104641230
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 90804236) is (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCNC(=O)Nc1ccc(Cn2c(=O)[nH]c3c(c2=O)C=C(C(=O)OCc2ccnc(OC)c2)CN3C)cc1.
What is the InChIKey of (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is IWPCLKADQNHYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O6/c1-4-27-25(35)29-19-7-5-16(6-8-19)13-32-23(33)20-12-18(14-31(2)22(20)30-26(32)36)24(34)38-15-17-9-10-28-21(11-17)37-3/h5-12H,4,13-15H2,1-3H3,(H,30,36)(H2,27,29,35).
What are the key properties of (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
(2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 520.55 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)methyl 3-[[4-(ethylcarbamoylamino)phenyl]methyl]-8-methyl-2,4-dioxo-1,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 90804236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).