1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C20H24N2O — CID 52723771

IUPAC1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-14-9-12-21-17(13-14)22-18(23)20(10-11-20)16-7-5-15(6-8-16)19(2,3)4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23)
InChIKeyFSSAHUUITGAQRK-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.36
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 52723771) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID52723771
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-14-9-12-21-17(13-14)22-18(23)20(10-11-20)16-7-5-15(6-8-16)19(2,3)4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23)
InChIKeyFSSAHUUITGAQRK-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
1-(4-tert-butylphenyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylcyclopropane-1-carboxamide
CID 56573417
1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80599079
4-methyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 63121370
1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 71938322
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 110439479
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 52723771) is 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ccnc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is FSSAHUUITGAQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-9-12-21-17(13-14)22-18(23)20(10-11-20)16-7-5-15(6-8-16)19(2,3)4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23).
What are the key properties of 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52723771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).