2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide

C26H30N6O2 — CID 55911766

IUPAC2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
SMILESCN1CCN(c2ccc(CNC(=O)NC(C(=O)Nc3ccccc3)c3ccccc3)cn2)CC1
InChIInChI=1S/C26H30N6O2/c1-31-14-16-32(17-15-31)23-13-12-20(18-27-23)19-28-26(34)30-24(21-8-4-2-5-9-21)25(33)29-22-10-6-3-7-11-22/h2-13,18,24H,14-17,19H2,1H3,(H,29,33)(H2,28,30,34)
InChIKeyIKDPXGPVROLDOH-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.01
Rot. Bonds7

About 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide

2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide (PubChem CID 55911766) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
PubChem CID55911766
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
SMILESCN1CCN(c2ccc(CNC(=O)NC(C(=O)Nc3ccccc3)c3ccccc3)cn2)CC1
InChIInChI=1S/C26H30N6O2/c1-31-14-16-32(17-15-31)23-13-12-20(18-27-23)19-28-26(34)30-24(21-8-4-2-5-9-21)25(33)29-22-10-6-3-7-11-22/h2-13,18,24H,14-17,19H2,1H3,(H,29,33)(H2,28,30,34)
InChIKeyIKDPXGPVROLDOH-UHFFFAOYSA-N
XLogP3.01
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide with MolForge

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Related Compounds

2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55912415
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
CID 119901240
1-(3-chloro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986581
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129
1-(2-ethyl-1-phenylbutyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42962719
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31008067
1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86987548
1-[2-(dimethylamino)-2-phenylethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55739594

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide (CID 55911766) is 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide is CN1CCN(c2ccc(CNC(=O)NC(C(=O)Nc3ccccc3)c3ccccc3)cn2)CC1.
What is the InChIKey of 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The InChIKey is IKDPXGPVROLDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-31-14-16-32(17-15-31)23-13-12-20(18-27-23)19-28-26(34)30-24(21-8-4-2-5-9-21)25(33)29-22-10-6-3-7-11-22/h2-13,18,24H,14-17,19H2,1H3,(H,29,33)(H2,28,30,34).
What are the key properties of 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide has a molecular weight of 458.57 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 55911766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).