N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide

C13H18N2O — CID 89458374

IUPACN-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
SMILESCC(C)(C)c1cccnc1NC(=O)C1CC1
InChIInChI=1S/C13H18N2O/c1-13(2,3)10-5-4-8-14-11(10)15-12(16)9-6-7-9/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16)
InChIKeyLJNFRTZGPUGMAO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.73
Rot. Bonds2

About N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide

N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide (PubChem CID 89458374) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
PubChem CID89458374
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
SMILESCC(C)(C)c1cccnc1NC(=O)C1CC1
InChIInChI=1S/C13H18N2O/c1-13(2,3)10-5-4-8-14-11(10)15-12(16)9-6-7-9/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16)
InChIKeyLJNFRTZGPUGMAO-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate
CID 110440902
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide (CID 89458374) is N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide is CC(C)(C)c1cccnc1NC(=O)C1CC1.
What is the InChIKey of N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide?
The InChIKey is LJNFRTZGPUGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)10-5-4-8-14-11(10)15-12(16)9-6-7-9/h4-5,8-9H,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide?
N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 89458374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).