1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

C15H23N3O2 — CID 115437467

IUPAC1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2(CN)CCCCC2)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-2-18-10-12(6-7-13(18)19)17-14(20)15(11-16)8-4-3-5-9-15/h6-7,10H,2-5,8-9,11,16H2,1H3,(H,17,20)
InChIKeyPHIPZXQEZIYHDF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds4

About 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 115437467) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID115437467
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2(CN)CCCCC2)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-2-18-10-12(6-7-13(18)19)17-14(20)15(11-16)8-4-3-5-9-15/h6-7,10H,2-5,8-9,11,16H2,1H3,(H,17,20)
InChIKeyPHIPZXQEZIYHDF-UHFFFAOYSA-N
XLogP1.72
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 113312813
1-acetamido-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 146085161
N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944538
1-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64549223
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
N-(1-ethyl-6-oxo-3-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980000
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 146323423
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 63140353

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (CID 115437467) is 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is CCn1cc(NC(=O)C2(CN)CCCCC2)ccc1=O.
What is the InChIKey of 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is PHIPZXQEZIYHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-18-10-12(6-7-13(18)19)17-14(20)15(11-16)8-4-3-5-9-15/h6-7,10H,2-5,8-9,11,16H2,1H3,(H,17,20).
What are the key properties of 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).