2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide

C23H22N2O — CID 3104466

IUPAC2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C23H22N2O/c1-16-3-7-18(8-4-16)23(19-9-5-17(2)6-10-19)15-21(23)22(26)25-20-11-13-24-14-12-20/h3-14,21H,15H2,1-2H3,(H,24,25,26)
InChIKeyMISGYSWXLAXQAX-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.64
Rot. Bonds4

About 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide

2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 3104466) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID3104466
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C23H22N2O/c1-16-3-7-18(8-4-16)23(19-9-5-17(2)6-10-19)15-21(23)22(26)25-20-11-13-24-14-12-20/h3-14,21H,15H2,1-2H3,(H,24,25,26)
InChIKeyMISGYSWXLAXQAX-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide (CID 3104466) is 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide is Cc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is MISGYSWXLAXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-3-7-18(8-4-16)23(19-9-5-17(2)6-10-19)15-21(23)22(26)25-20-11-13-24-14-12-20/h3-14,21H,15H2,1-2H3,(H,24,25,26).
What are the key properties of 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 3104466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).