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

C26H27N5O3 — CID 135886202

IUPAC(5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1
InChIInChI=1S/C26H27N5O3/c32-21-16-20(24(33)27-19-9-5-2-6-10-19)22-23(28-21)29-26(30-25(22)34)31-13-11-18(12-14-31)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2,(H,27,33)(H2,28,29,30,32,34)/t20-/m0/s1
InChIKeyFDUOKVLFWBMISB-FQEVSTJZSA-N
MW457.53 g/mol
LogP3.29
Rot. Bonds5

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

(5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135886202) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135886202
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name(5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1
InChIInChI=1S/C26H27N5O3/c32-21-16-20(24(33)27-19-9-5-2-6-10-19)22-23(28-21)29-26(30-25(22)34)31-13-11-18(12-14-31)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2,(H,27,33)(H2,28,29,30,32,34)/t20-/m0/s1
InChIKeyFDUOKVLFWBMISB-FQEVSTJZSA-N
XLogP3.29
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135654194
(5R)-2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136896546
(5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886273
ethyl 1-[(5S)-4,7-dioxo-5-(phenylcarbamoyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135886172
(5R)-N-(4-ethylphenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135937654
2-anilino-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135629396
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)-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
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)-N-(3-nitrophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135882068
ethyl 1-[(5S)-4,7-dioxo-5-[(4-propan-2-ylphenyl)carbamoyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895061
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 (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135886202) is (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1.
What is the InChIKey of (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FDUOKVLFWBMISB-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-21-16-20(24(33)27-19-9-5-2-6-10-19)22-23(28-21)29-26(30-25(22)34)31-13-11-18(12-14-31)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2,(H,27,33)(H2,28,29,30,32,34)/t20-/m0/s1.
What are the key properties of (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135886202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).