2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide

C22H29N5O2 — CID 87045751

IUPAC2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C22H29N5O2/c1-16-8-10-27(11-9-16)20-7-6-18(13-23-20)14-24-21(28)15-25-22(29)26-19-5-3-4-17(2)12-19/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyYFIFTXISUOYCDA-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.06
Rot. Bonds6

About 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide

2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 87045751) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID87045751
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C22H29N5O2/c1-16-8-10-27(11-9-16)20-7-6-18(13-23-20)14-24-21(28)15-25-22(29)26-19-5-3-4-17(2)12-19/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyYFIFTXISUOYCDA-UHFFFAOYSA-N
XLogP3.06
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55963988
2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743284
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55746761
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
N-(3-methylphenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53012098
1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 55794785
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
2-[(1R)-cyclopent-2-en-1-yl]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94783206
2-cyclopent-2-en-1-yl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47043291

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide (CID 87045751) is 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide is Cc1cccc(NC(=O)NCC(=O)NCc2ccc(N3CCC(C)CC3)nc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is YFIFTXISUOYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-8-10-27(11-9-16)20-7-6-18(13-23-20)14-24-21(28)15-25-22(29)26-19-5-3-4-17(2)12-19/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide?
2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 87045751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).