N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide

C26H36N6O4 — CID 163373203

IUPACN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide
SMILESCC(C)C.CC1CC(C#N)N(C(=O)CN(C)C(=O)c2nnc(C3CC3)o2)C1.O=CNc1ccccc1
InChIInChI=1S/C15H19N5O3.C7H7NO.C4H10/c1-9-5-11(6-16)20(7-9)12(21)8-19(2)15(22)14-18-17-13(23-14)10-3-4-10;9-6-8-7-4-2-1-3-5-7;1-4(2)3/h9-11H,3-5,7-8H2,1-2H3;1-6H,(H,8,9);4H,1-3H3
InChIKeyIWZXMDUFYSRDKX-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide

N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide (PubChem CID 163373203) has the molecular formula C26H36N6O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide
PubChem CID163373203
Molecular FormulaC26H36N6O4
Molecular Weight496.61 g/mol
Exact Mass496.28
IUPAC NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide
SMILESCC(C)C.CC1CC(C#N)N(C(=O)CN(C)C(=O)c2nnc(C3CC3)o2)C1.O=CNc1ccccc1
InChIInChI=1S/C15H19N5O3.C7H7NO.C4H10/c1-9-5-11(6-16)20(7-9)12(21)8-19(2)15(22)14-18-17-13(23-14)10-3-4-10;9-6-8-7-4-2-1-3-5-7;1-4(2)3/h9-11H,3-5,7-8H2,1-2H3;1-6H,(H,8,9);4H,1-3H3
InChIKeyIWZXMDUFYSRDKX-UHFFFAOYSA-N
XLogP3.70
TPSA132.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide?
The IUPAC name of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide (CID 163373203) is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide.
What is the SMILES notation for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide?
The canonical SMILES for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide is CC(C)C.CC1CC(C#N)N(C(=O)CN(C)C(=O)c2nnc(C3CC3)o2)C1.O=CNc1ccccc1.
What is the InChIKey of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide?
The InChIKey is IWZXMDUFYSRDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3.C7H7NO.C4H10/c1-9-5-11(6-16)20(7-9)12(21)8-19(2)15(22)14-18-17-13(23-14)10-3-4-10;9-6-8-7-4-2-1-3-5-7;1-4(2)3/h9-11H,3-5,7-8H2,1-2H3;1-6H,(H,8,9);4H,1-3H3.
What are the key properties of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide?
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide has a molecular weight of 496.61 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide is sourced from PubChem (CID 163373203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).