2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide

C24H29N5O3 — CID 89250927

IUPAC2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide
SMILESC=C1CCN(c2cc(C3CN(C)C(=O)N(C)C3)ccc2NC(=O)C2=CCC(C#N)O2)CC1
InChIInChI=1S/C24H29N5O3/c1-16-8-10-29(11-9-16)21-12-17(18-14-27(2)24(31)28(3)15-18)4-6-20(21)26-23(30)22-7-5-19(13-25)32-22/h4,6-7,12,18-19H,1,5,8-11,14-15H2,2-3H3,(H,26,30)
InChIKeyAXIKULGPWCDATC-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.06
Rot. Bonds4

About 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide

2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide (PubChem CID 89250927) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide
PubChem CID89250927
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide
SMILESC=C1CCN(c2cc(C3CN(C)C(=O)N(C)C3)ccc2NC(=O)C2=CCC(C#N)O2)CC1
InChIInChI=1S/C24H29N5O3/c1-16-8-10-29(11-9-16)21-12-17(18-14-27(2)24(31)28(3)15-18)4-6-20(21)26-23(30)22-7-5-19(13-25)32-22/h4,6-7,12,18-19H,1,5,8-11,14-15H2,2-3H3,(H,26,30)
InChIKeyAXIKULGPWCDATC-UHFFFAOYSA-N
XLogP3.06
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(8-azaspiro[4.5]decan-8-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-3-cyano-1H-1,2,4-triazole-5-carboxamide
CID 24784640
4-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1-sulfanylimidazole-2-carboxamide
CID 71073253
N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-4-methyl-1H-pyrrole-2-carboxamide
CID 59771207
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164560
5-cyano-N-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 159331472
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
CID 24827149
N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide
CID 59771211
N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-5-hydroxy-1H-imidazole-2-carboxamide
CID 135581968
4-cyano-N-[2-(4-methylpiperidin-1-yl)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-1H-pyrrole-2-carboxamide
CID 11648537
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 89298027
5-cyano-N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-spiro[4.5]dec-8-en-8-ylphenyl]-1H-imidazole-2-carboxamide
CID 24785129
2-[2-[2-(cyclohepten-1-yl)-4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)phenyl]acetyl]-1H-imidazole-5-carbonitrile
CID 58386946

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide (CID 89250927) is 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide is C=C1CCN(c2cc(C3CN(C)C(=O)N(C)C3)ccc2NC(=O)C2=CCC(C#N)O2)CC1.
What is the InChIKey of 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide?
The InChIKey is AXIKULGPWCDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-8-10-29(11-9-16)21-12-17(18-14-27(2)24(31)28(3)15-18)4-6-20(21)26-23(30)22-7-5-19(13-25)32-22/h4,6-7,12,18-19H,1,5,8-11,14-15H2,2-3H3,(H,26,30).
What are the key properties of 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide?
2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4-methylidenepiperidin-1-yl)phenyl]-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 89250927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).