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

C21H27N5O2 — CID 55963988

IUPAC2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(N3CCCCC3)nc2)c1
InChIInChI=1S/C21H27N5O2/c1-16-6-5-7-18(12-16)25-21(28)24-15-20(27)23-14-17-8-9-19(22-13-17)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyBHNZYKTYBBVUAJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.82
Rot. Bonds6

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

2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 55963988) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID55963988
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NCc2ccc(N3CCCCC3)nc2)c1
InChIInChI=1S/C21H27N5O2/c1-16-6-5-7-18(12-16)25-21(28)24-15-20(27)23-14-17-8-9-19(22-13-17)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyBHNZYKTYBBVUAJ-UHFFFAOYSA-N
XLogP2.82
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(3-methylphenyl)carbamoylamino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 87045751
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-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554495
1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
1-(3-methylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966659
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide (CID 55963988) is 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide is Cc1cccc(NC(=O)NCC(=O)NCc2ccc(N3CCCCC3)nc2)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is BHNZYKTYBBVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-6-5-7-18(12-16)25-21(28)24-15-20(27)23-14-17-8-9-19(22-13-17)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,23,27)(H2,24,25,28).
What are the key properties of 2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?
2-[(3-methylphenyl)carbamoylamino]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.82, 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-piperidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55963988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).