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

C25H27N5O2 — CID 10836341

IUPACN-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C25H27N5O2/c31-24(20-6-2-1-3-7-20)28-22-8-4-5-9-23(22)29-25(32)27-18-19-12-16-30(17-13-19)21-10-14-26-15-11-21/h1-11,14-15,19H,12-13,16-18H2,(H,28,31)(H2,27,29,32)
InChIKeySKTVDXTYRKPAML-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.37
Rot. Bonds6

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

N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide (PubChem CID 10836341) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
PubChem CID10836341
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C25H27N5O2/c31-24(20-6-2-1-3-7-20)28-22-8-4-5-9-23(22)29-25(32)27-18-19-12-16-30(17-13-19)21-10-14-26-15-11-21/h1-11,14-15,19H,12-13,16-18H2,(H,28,31)(H2,27,29,32)
InChIKeySKTVDXTYRKPAML-UHFFFAOYSA-N
XLogP4.37
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The IUPAC name of N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide (CID 10836341) is N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide is O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
The InChIKey is SKTVDXTYRKPAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-24(20-6-2-1-3-7-20)28-22-8-4-5-9-23(22)29-25(32)27-18-19-12-16-30(17-13-19)21-10-14-26-15-11-21/h1-11,14-15,19H,12-13,16-18H2,(H,28,31)(H2,27,29,32).
What are the key properties of N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide?
N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide is sourced from PubChem (CID 10836341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).