4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

C14H21N3O — CID 5711

IUPAC4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(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)
InChIKeyIYOZTVGMEWJPKR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds3

About 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide

4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 5711) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID5711
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC(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)
InChIKeyIYOZTVGMEWJPKR-UHFFFAOYSA-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-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 5711) is 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is CC(N)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is IYOZTVGMEWJPKR-UHFFFAOYSA-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).
What are the key properties of 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-(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-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 5711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).