ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate

C24H29N5O7 — CID 135994098

IUPACethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc3c(c(=O)[nH]2)C(C(=O)Nc2cc(OC)ccc2OC)CC(=O)N3)C1
InChIInChI=1S/C24H29N5O7/c1-4-36-23(33)13-6-5-9-29(12-13)24-27-20-19(22(32)28-24)15(11-18(30)26-20)21(31)25-16-10-14(34-2)7-8-17(16)35-3/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3,(H,25,31)(H2,26,27,28,30,32)
InChIKeyVDZOKWXICRALLX-UHFFFAOYSA-N
MW499.52 g/mol
LogP1.63
Rot. Bonds7

About ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate

ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate (PubChem CID 135994098) has the molecular formula C24H29N5O7 and a molecular weight of 499.52 g/mol. Its IUPAC name is ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate
PubChem CID135994098
Molecular FormulaC24H29N5O7
Molecular Weight499.52 g/mol
Exact Mass499.21
IUPAC Nameethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2nc3c(c(=O)[nH]2)C(C(=O)Nc2cc(OC)ccc2OC)CC(=O)N3)C1
InChIInChI=1S/C24H29N5O7/c1-4-36-23(33)13-6-5-9-29(12-13)24-27-20-19(22(32)28-24)15(11-18(30)26-20)21(31)25-16-10-14(34-2)7-8-17(16)35-3/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3,(H,25,31)(H2,26,27,28,30,32)
InChIKeyVDZOKWXICRALLX-UHFFFAOYSA-N
XLogP1.63
TPSA151.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[(5R)-5-[(2,4-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 136896719
ethyl 1-[5-[(2-methyl-4-nitrophenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate
CID 135993928
(5R)-N-(2-methoxy-5-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875564
N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994713
(5S)-N-(5-chloro-2-methoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875855
N-(2-methoxyphenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135972514
2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994693
(5R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875438
ethyl 1-[(5S)-4,7-dioxo-5-(phenylcarbamoyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135886172
ethyl 1-[(5S)-5-[(4-fluorophenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895063
(5S)-N-(3-methoxyphenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135929839
N-(2-ethoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994124

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate (CID 135994098) is ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2nc3c(c(=O)[nH]2)C(C(=O)Nc2cc(OC)ccc2OC)CC(=O)N3)C1.
What is the InChIKey of ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate?
The InChIKey is VDZOKWXICRALLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O7/c1-4-36-23(33)13-6-5-9-29(12-13)24-27-20-19(22(32)28-24)15(11-18(30)26-20)21(31)25-16-10-14(34-2)7-8-17(16)35-3/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3,(H,25,31)(H2,26,27,28,30,32).
What are the key properties of ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate?
ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate has a molecular weight of 499.52 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 135994098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).