5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile

C20H25N5O2 — CID 135968621

IUPAC5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)C(C1CC=CCC1)C(C#N)C(=O)N2
InChIInChI=1S/C20H25N5O2/c1-12-7-5-6-10-25(12)20-23-17-16(19(27)24-20)15(13-8-3-2-4-9-13)14(11-21)18(26)22-17/h2-3,12-15H,4-10H2,1H3,(H2,22,23,24,26,27)
InChIKeyGXNCZYQSDDZJRI-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds2

About 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile

5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 135968621) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID135968621
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)C(C1CC=CCC1)C(C#N)C(=O)N2
InChIInChI=1S/C20H25N5O2/c1-12-7-5-6-10-25(12)20-23-17-16(19(27)24-20)15(13-8-3-2-4-9-13)14(11-21)18(26)22-17/h2-3,12-15H,4-10H2,1H3,(H2,22,23,24,26,27)
InChIKeyGXNCZYQSDDZJRI-UHFFFAOYSA-N
XLogP2.68
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-N-(3,5-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875674
4,7-dioxo-2-piperidin-1-yl-5-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135646697
(5R)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-N-(4-propan-2-ylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028006
(5R)-N-(4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875586
(5S)-N-(4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875596
(5S)-5-[(1S)-cyclohex-3-en-1-yl]-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135885326
(5S)-N-(3-chlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875619
(5S)-N-(4-methoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875608
(5S)-N-benzyl-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875634
(5S)-N-(2-fluorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875653
(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
(5S)-N-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875696

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 135968621) is 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile is CC1CCCCN1c1nc2c(c(=O)[nH]1)C(C1CC=CCC1)C(C#N)C(=O)N2.
What is the InChIKey of 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is GXNCZYQSDDZJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12-7-5-6-10-25(12)20-23-17-16(19(27)24-20)15(13-8-3-2-4-9-13)14(11-21)18(26)22-17/h2-3,12-15H,4-10H2,1H3,(H2,22,23,24,26,27).
What are the key properties of 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-2-(2-methylpiperidin-1-yl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 135968621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).