4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide

C15H23N3O — CID 138057699

IUPAC4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccncc1CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C15H23N3O/c1-11-6-8-17-10-13(11)7-9-18-15(19)12-2-4-14(16)5-3-12/h6,8,10,12,14H,2-5,7,9,16H2,1H3,(H,18,19)
InChIKeyJMRWBGZRNCDQQA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.57
Rot. Bonds4

About 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 138057699) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide
PubChem CID138057699
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccncc1CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C15H23N3O/c1-11-6-8-17-10-13(11)7-9-18-15(19)12-2-4-14(16)5-3-12/h6,8,10,12,14H,2-5,7,9,16H2,1H3,(H,18,19)
InChIKeyJMRWBGZRNCDQQA-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115150584
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
4-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 114130686
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004
2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114956009
3-(cyclopropylmethyl)-4-methylpyridine;ethane
CID 166091587

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide (CID 138057699) is 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide is Cc1ccncc1CCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JMRWBGZRNCDQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-8-17-10-13(11)7-9-18-15(19)12-2-4-14(16)5-3-12/h6,8,10,12,14H,2-5,7,9,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).