N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide

C25H28N4O — CID 118057678

IUPACN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide
SMILESCc1cc(C)cc(-c2cncc(NC(=O)c3ccccc3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H28N4O/c1-17-12-18(2)14-20(13-17)22-15-27-16-23(24(22)29-10-8-21(26)9-11-29)28-25(30)19-6-4-3-5-7-19/h3-7,12-16,21H,8-11,26H2,1-2H3,(H,28,30)
InChIKeyIWSZWDAJGJIATO-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.55
Rot. Bonds4

About N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide

N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide (PubChem CID 118057678) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide
PubChem CID118057678
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide
SMILESCc1cc(C)cc(-c2cncc(NC(=O)c3ccccc3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H28N4O/c1-17-12-18(2)14-20(13-17)22-15-27-16-23(24(22)29-10-8-21(26)9-11-29)28-25(30)19-6-4-3-5-7-19/h3-7,12-16,21H,8-11,26H2,1-2H3,(H,28,30)
InChIKeyIWSZWDAJGJIATO-UHFFFAOYSA-N
XLogP4.55
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide (CID 118057678) is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide is Cc1cc(C)cc(-c2cncc(NC(=O)c3ccccc3)c2N2CCC(N)CC2)c1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide?
The InChIKey is IWSZWDAJGJIATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17-12-18(2)14-20(13-17)22-15-27-16-23(24(22)29-10-8-21(26)9-11-29)28-25(30)19-6-4-3-5-7-19/h3-7,12-16,21H,8-11,26H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide?
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide has a molecular weight of 400.53 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 118057678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).