(5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C21H23N5O5 — CID 135886246

IUPAC(5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2c(nc(N3CCCCC3)[nH]c2=O)N1
InChIInChI=1S/C21H23N5O5/c27-16-11-13(19(28)22-12-4-5-14-15(10-12)31-9-8-30-14)17-18(23-16)24-21(25-20(17)29)26-6-2-1-3-7-26/h4-5,10,13H,1-3,6-9,11H2,(H,22,28)(H2,23,24,25,27,29)/t13-/m0/s1
InChIKeyDPRCUELSPVYLGH-ZDUSSCGKSA-N
MW425.45 g/mol
LogP1.60
Rot. Bonds3

About (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

(5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135886246) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135886246
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name(5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2c(nc(N3CCCCC3)[nH]c2=O)N1
InChIInChI=1S/C21H23N5O5/c27-16-11-13(19(28)22-12-4-5-14-15(10-12)31-9-8-30-14)17-18(23-16)24-21(25-20(17)29)26-6-2-1-3-7-26/h4-5,10,13H,1-3,6-9,11H2,(H,22,28)(H2,23,24,25,27,29)/t13-/m0/s1
InChIKeyDPRCUELSPVYLGH-ZDUSSCGKSA-N
XLogP1.60
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994570
(5S)-N-(1,3-benzodioxol-5-yl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875506
(5R)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886225
N-(3,5-dichlorophenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994705
(5S)-4,7-dioxo-2-piperidin-1-yl-N-(4-prop-1-en-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136905653
(5S)-N-(3-methoxyphenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135929839
(5S)-N-(3-nitrophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135882068
(5S)-N-(4-acetamidophenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896557
(5S)-N-(4-fluorophenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135937661
dimethyl 5-[[(5S)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135937709
(5R)-N-(2,5-dichlorophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886007
(5R)-N-(4-ethylphenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135937654

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135886246) is (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2c(nc(N3CCCCC3)[nH]c2=O)N1.
What is the InChIKey of (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DPRCUELSPVYLGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N5O5/c27-16-11-13(19(28)22-12-4-5-14-15(10-12)31-9-8-30-14)17-18(23-16)24-21(25-20(17)29)26-6-2-1-3-7-26/h4-5,10,13H,1-3,6-9,11H2,(H,22,28)(H2,23,24,25,27,29)/t13-/m0/s1.
What are the key properties of (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135886246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).