N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide

C26H29N3O3 — CID 167679607

IUPACN-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CCC(=O)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C26H29N3O3/c1-16-13-19(20-11-12-27-23(14-20)29-24(31)18-6-7-18)8-5-17(16)9-10-21(30)25-28-15-22(32-25)26(2,3)4/h5,8,11-15,18H,6-7,9-10H2,1-4H3,(H,27,29,31)
InChIKeyVIEYKTDFTHYJNY-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.51
Rot. Bonds7

About N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167679607) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID167679607
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CCC(=O)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C26H29N3O3/c1-16-13-19(20-11-12-27-23(14-20)29-24(31)18-6-7-18)8-5-17(16)9-10-21(30)25-28-15-22(32-25)26(2,3)4/h5,8,11-15,18H,6-7,9-10H2,1-4H3,(H,27,29,31)
InChIKeyVIEYKTDFTHYJNY-UHFFFAOYSA-N
XLogP5.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 167597399
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide
CID 167663917
1-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]pyrazole-3-carboxamide
CID 155288086
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167685178
N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 161186398
N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129261123
3-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 155288155
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;tert-butyl N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]carbamate;tert-butyl N-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 167680367
N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 167556015
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide
CID 171350307

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 167679607) is N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CCC(=O)c1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is VIEYKTDFTHYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-16-13-19(20-11-12-27-23(14-20)29-24(31)18-6-7-18)8-5-17(16)9-10-21(30)25-28-15-22(32-25)26(2,3)4/h5,8,11-15,18H,6-7,9-10H2,1-4H3,(H,27,29,31).
What are the key properties of N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 167679607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).