4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide

C26H29N5O2 — CID 15982627

IUPAC4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H29N5O2/c27-24(20-6-8-21(9-7-20)25(32)29-22-10-14-28-15-11-22)26(33)30-23-12-16-31(17-13-23)18-19-4-2-1-3-5-19/h1-11,14-15,23-24H,12-13,16-18,27H2,(H,30,33)(H,28,29,32)
InChIKeyRJALVGXVLURXBT-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.11
Rot. Bonds7

About 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide (PubChem CID 15982627) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
PubChem CID15982627
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
SMILESNC(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H29N5O2/c27-24(20-6-8-21(9-7-20)25(32)29-22-10-14-28-15-11-22)26(33)30-23-12-16-31(17-13-23)18-19-4-2-1-3-5-19/h1-11,14-15,23-24H,12-13,16-18,27H2,(H,30,33)(H,28,29,32)
InChIKeyRJALVGXVLURXBT-UHFFFAOYSA-N
XLogP3.11
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
4-[1-amino-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982501
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide (CID 15982627) is 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide is NC(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is RJALVGXVLURXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c27-24(20-6-8-21(9-7-20)25(32)29-22-10-14-28-15-11-22)26(33)30-23-12-16-31(17-13-23)18-19-4-2-1-3-5-19/h1-11,14-15,23-24H,12-13,16-18,27H2,(H,30,33)(H,28,29,32).
What are the key properties of 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 443.55 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 15982627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).