4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

C14H21N3O — CID 6604051

IUPAC4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESC[C@H](N)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m0/s1
InChIKeyIYOZTVGMEWJPKR-UNXYVOJBSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds3

About 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 6604051) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID6604051
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESC[C@H](N)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m0/s1
InChIKeyIYOZTVGMEWJPKR-UNXYVOJBSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 6604051) is 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is C[C@H](N)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is IYOZTVGMEWJPKR-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 6604051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).