4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide

C14H21N3O2 — CID 118065475

IUPAC4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide
SMILESCC(N)C1CCC(C(=O)Nc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-9(15)10-2-4-11(5-3-10)14(19)17-12-6-7-16-13(18)8-12/h6-11H,2-5,15H2,1H3,(H2,16,17,18,19)
InChIKeyZMDDSBXRKZKWLT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.47
Rot. Bonds3

About 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide

4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 118065475) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID118065475
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide
SMILESCC(N)C1CCC(C(=O)Nc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-9(15)10-2-4-11(5-3-10)14(19)17-12-6-7-16-13(18)8-12/h6-11H,2-5,15H2,1H3,(H2,16,17,18,19)
InChIKeyZMDDSBXRKZKWLT-UHFFFAOYSA-N
XLogP1.47
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide (CID 118065475) is 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide is CC(N)C1CCC(C(=O)Nc2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is ZMDDSBXRKZKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(15)10-2-4-11(5-3-10)14(19)17-12-6-7-16-13(18)8-12/h6-11H,2-5,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide?
4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-oxo-1H-pyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 118065475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).