4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide

C15H21N3O — CID 67135389

IUPAC4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESC=CCC1(C(=O)Nc2ccccn2)CCC(N)CC1
InChIInChI=1S/C15H21N3O/c1-2-8-15(9-6-12(16)7-10-15)14(19)18-13-5-3-4-11-17-13/h2-5,11-12H,1,6-10,16H2,(H,17,18,19)
InChIKeyUISGNUBFDUTAMN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.48
Rot. Bonds4

About 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide

4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 67135389) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID67135389
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESC=CCC1(C(=O)Nc2ccccn2)CCC(N)CC1
InChIInChI=1S/C15H21N3O/c1-2-8-15(9-6-12(16)7-10-15)14(19)18-13-5-3-4-11-17-13/h2-5,11-12H,1,6-10,16H2,(H,17,18,19)
InChIKeyUISGNUBFDUTAMN-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422
1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
4-methyl-1-propan-2-yl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 134515265
1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide
CID 142413626
1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
CID 111911114
2-piperidin-4-yl-N-pyridin-2-ylacetamide;dihydrochloride
CID 119827189
disodium;2-phosphonato-N-pyridin-2-ylacetamide
CID 53322963
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 67135389) is 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide is C=CCC1(C(=O)Nc2ccccn2)CCC(N)CC1.
What is the InChIKey of 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is UISGNUBFDUTAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-8-15(9-6-12(16)7-10-15)14(19)18-13-5-3-4-11-17-13/h2-5,11-12H,1,6-10,16H2,(H,17,18,19).
What are the key properties of 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 67135389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).