3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide

C18H24ClN3O — CID 130411435

IUPAC3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(N2CC=C(c3ccc(Cl)c(N)c3)CC2)C1
InChIInChI=1S/C18H24ClN3O/c19-16-5-4-13(11-17(16)20)12-6-8-22(9-7-12)15-3-1-2-14(10-15)18(21)23/h4-6,11,14-15H,1-3,7-10,20H2,(H2,21,23)
InChIKeyZCJNBCIPTQHDLP-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.06
Rot. Bonds3

About 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide

3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide (PubChem CID 130411435) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide
PubChem CID130411435
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(N2CC=C(c3ccc(Cl)c(N)c3)CC2)C1
InChIInChI=1S/C18H24ClN3O/c19-16-5-4-13(11-17(16)20)12-6-8-22(9-7-12)15-3-1-2-14(10-15)18(21)23/h4-6,11,14-15H,1-3,7-10,20H2,(H2,21,23)
InChIKeyZCJNBCIPTQHDLP-UHFFFAOYSA-N
XLogP3.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide (CID 130411435) is 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide is NC(=O)C1CCCC(N2CC=C(c3ccc(Cl)c(N)c3)CC2)C1.
What is the InChIKey of 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is ZCJNBCIPTQHDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c19-16-5-4-13(11-17(16)20)12-6-8-22(9-7-12)15-3-1-2-14(10-15)18(21)23/h4-6,11,14-15H,1-3,7-10,20H2,(H2,21,23).
What are the key properties of 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide?
3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 333.86 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 130411435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).