4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride

C16H23Cl2N3O-2 — CID 10405208

IUPAC4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride
SMILESC=CCCNC1CCC(C(=O)Nc2cccnc2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C16H23N3O.2ClH/c1-2-3-11-18-14-8-6-13(7-9-14)16(20)19-15-5-4-10-17-12-15;;/h2,4-5,10,12-14,18H,1,3,6-9,11H2,(H,19,20);2*1H/p-2
InChIKeyUCXZASRHBRIDIW-UHFFFAOYSA-L
MW344.29 g/mol
LogP-3.25
Rot. Bonds6

About 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride

4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride (PubChem CID 10405208) has the molecular formula C16H23Cl2N3O-2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride.

Molecular Properties

Compound Name4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride
PubChem CID10405208
Molecular FormulaC16H23Cl2N3O-2
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride
SMILESC=CCCNC1CCC(C(=O)Nc2cccnc2)CC1.[Cl-].[Cl-]
InChIInChI=1S/C16H23N3O.2ClH/c1-2-3-11-18-14-8-6-13(7-9-14)16(20)19-15-5-4-10-17-12-15;;/h2,4-5,10,12-14,18H,1,3,6-9,11H2,(H,19,20);2*1H/p-2
InChIKeyUCXZASRHBRIDIW-UHFFFAOYSA-L
XLogP-3.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 5-3.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
2-methoxy-N-[4-(pyridin-3-ylcarbamoyl)cyclohexyl]benzamide
CID 154762622
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 40921983
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 82262226
3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
CID 47303477
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42173480
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride?
The IUPAC name of 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride (CID 10405208) is 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride.
What is the SMILES notation for 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride?
The canonical SMILES for 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride is C=CCCNC1CCC(C(=O)Nc2cccnc2)CC1.[Cl-].[Cl-].
What is the InChIKey of 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride?
The InChIKey is UCXZASRHBRIDIW-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-2-3-11-18-14-8-6-13(7-9-14)16(20)19-15-5-4-10-17-12-15;;/h2,4-5,10,12-14,18H,1,3,6-9,11H2,(H,19,20);2*1H/p-2.
What are the key properties of 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride?
4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride has a molecular weight of 344.29 g/mol, XLogP of -3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride is sourced from PubChem (CID 10405208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).