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

C26H26FN5O3 — CID 135886273

IUPAC(5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(F)c2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1
InChIInChI=1S/C26H26FN5O3/c27-18-7-4-8-19(14-18)28-24(34)20-15-21(33)29-23-22(20)25(35)31-26(30-23)32-11-9-17(10-12-32)13-16-5-2-1-3-6-16/h1-8,14,17,20H,9-13,15H2,(H,28,34)(H2,29,30,31,33,35)/t20-/m1/s1
InChIKeyAGEZUDHHNCBMJL-HXUWFJFHSA-N
MW475.52 g/mol
LogP3.43
Rot. Bonds5

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

(5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135886273) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135886273
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name(5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(F)c2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1
InChIInChI=1S/C26H26FN5O3/c27-18-7-4-8-19(14-18)28-24(34)20-15-21(33)29-23-22(20)25(35)31-26(30-23)32-11-9-17(10-12-32)13-16-5-2-1-3-6-16/h1-8,14,17,20H,9-13,15H2,(H,28,34)(H2,29,30,31,33,35)/t20-/m1/s1
InChIKeyAGEZUDHHNCBMJL-HXUWFJFHSA-N
XLogP3.43
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.43
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
(5S)-2-(4-benzylpiperidin-1-yl)-4,7-dioxo-N-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135886202
(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)-N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028029
ethyl 1-[(5S)-4,7-dioxo-5-(phenylcarbamoyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135886172
(5S)-2-(4-carbamoylpiperidin-1-yl)-N-(3-chlorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135894903
(5S)-N-(4-fluorophenyl)-2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135937661
(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-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136885225
(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)-5-[(4-fluorophenyl)carbamoyl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxylate
CID 135895063
(5S)-2-(4-carbamoylpiperidin-1-yl)-N-(4-ethylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135960279

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (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) is (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is O=C1C[C@@H](C(=O)Nc2cccc(F)c2)c2c(nc(N3CCC(Cc4ccccc4)CC3)[nH]c2=O)N1.
What is the InChIKey of (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AGEZUDHHNCBMJL-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26FN5O3/c27-18-7-4-8-19(14-18)28-24(34)20-15-21(33)29-23-22(20)25(35)31-26(30-23)32-11-9-17(10-12-32)13-16-5-2-1-3-6-16/h1-8,14,17,20H,9-13,15H2,(H,28,34)(H2,29,30,31,33,35)/t20-/m1/s1.
What are the key properties of (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
(5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135886273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).