4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide

C25H26ClN5O2 — CID 10253863

IUPAC4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN5O2/c26-20-7-5-19(6-8-20)24(32)29-22-3-1-2-4-23(22)30-25(33)28-17-18-11-15-31(16-12-18)21-9-13-27-14-10-21/h1-10,13-14,18H,11-12,15-17H2,(H,29,32)(H2,28,30,33)
InChIKeyDUHKLVFIUNWXHX-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.03
Rot. Bonds6

About 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide

4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide (PubChem CID 10253863) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
PubChem CID10253863
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN5O2/c26-20-7-5-19(6-8-20)24(32)29-22-3-1-2-4-23(22)30-25(33)28-17-18-11-15-31(16-12-18)21-9-13-27-14-10-21/h1-10,13-14,18H,11-12,15-17H2,(H,29,32)(H2,28,30,33)
InChIKeyDUHKLVFIUNWXHX-UHFFFAOYSA-N
XLogP5.03
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide (CID 10253863) is 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide is O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The InChIKey is DUHKLVFIUNWXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c26-20-7-5-19(6-8-20)24(32)29-22-3-1-2-4-23(22)30-25(33)28-17-18-11-15-31(16-12-18)21-9-13-27-14-10-21/h1-10,13-14,18H,11-12,15-17H2,(H,29,32)(H2,28,30,33).
What are the key properties of 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide has a molecular weight of 463.97 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide is sourced from PubChem (CID 10253863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).