5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide

C32H38ClN3O2 — CID 44527680

IUPAC5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide
SMILESCOc1c(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cn3)CC2)ccc2c1CCCC2
InChIInChI=1S/C32H38ClN3O2/c1-38-31-28-7-3-2-6-24(28)10-14-29(31)25-16-20-36(21-17-25)19-5-4-18-34-32(37)30-15-11-26(22-35-30)23-8-12-27(33)13-9-23/h8-15,22,25H,2-7,16-21H2,1H3,(H,34,37)
InChIKeyXYXZNSQOPXMSAN-UHFFFAOYSA-N
MW532.13 g/mol
LogP6.68
Rot. Bonds9

About 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide

5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide (PubChem CID 44527680) has the molecular formula C32H38ClN3O2 and a molecular weight of 532.13 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide
PubChem CID44527680
Molecular FormulaC32H38ClN3O2
Molecular Weight532.13 g/mol
Exact Mass531.27
IUPAC Name5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide
SMILESCOc1c(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cn3)CC2)ccc2c1CCCC2
InChIInChI=1S/C32H38ClN3O2/c1-38-31-28-7-3-2-6-24(28)10-14-29(31)25-16-20-36(21-17-25)19-5-4-18-34-32(37)30-15-11-26(22-35-30)23-8-12-27(33)13-9-23/h8-15,22,25H,2-7,16-21H2,1H3,(H,34,37)
InChIKeyXYXZNSQOPXMSAN-UHFFFAOYSA-N
XLogP6.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide (CID 44527680) is 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide is COc1c(C2CCN(CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)cn3)CC2)ccc2c1CCCC2.
What is the InChIKey of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide?
The InChIKey is XYXZNSQOPXMSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O2/c1-38-31-28-7-3-2-6-24(28)10-14-29(31)25-16-20-36(21-17-25)19-5-4-18-34-32(37)30-15-11-26(22-35-30)23-8-12-27(33)13-9-23/h8-15,22,25H,2-7,16-21H2,1H3,(H,34,37).
What are the key properties of 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide?
5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide has a molecular weight of 532.13 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide is sourced from PubChem (CID 44527680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).