4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide

C15H23N3O — CID 102628272

IUPAC4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2ccncc2)C1(C)C
InChIInChI=1S/C15H23N3O/c1-10-13(16)5-4-12(15(10,2)3)14(19)18-11-6-8-17-9-7-11/h6-10,12-13H,4-5,16H2,1-3H3,(H,17,18,19)
InChIKeyBTGYNUKGAGQQKU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.42
Rot. Bonds2

About 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 102628272) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID102628272
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)Nc2ccncc2)C1(C)C
InChIInChI=1S/C15H23N3O/c1-10-13(16)5-4-12(15(10,2)3)14(19)18-11-6-8-17-9-7-11/h6-10,12-13H,4-5,16H2,1-3H3,(H,17,18,19)
InChIKeyBTGYNUKGAGQQKU-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-chlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628230
4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628262
4-amino-N-(3-bromo-4-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629220
4-amino-N-(3-chloro-4-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628313
4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628908
4-amino-N-(2,5-dichlorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628190
4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide
CID 102629106
(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 18644147
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106175418
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 102628272) is 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)Nc2ccncc2)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is BTGYNUKGAGQQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-13(16)5-4-12(15(10,2)3)14(19)18-11-6-8-17-9-7-11/h6-10,12-13H,4-5,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).