3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide

C21H26N4O2 — CID 24812718

IUPAC3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
InChIKeyCLEGTVIMOPPIBR-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.53
Rot. Bonds6

About 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide

3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide (PubChem CID 24812718) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
PubChem CID24812718
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
InChIKeyCLEGTVIMOPPIBR-UHFFFAOYSA-N
XLogP3.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide (CID 24812718) is 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide is Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is CLEGTVIMOPPIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27).
What are the key properties of 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 24812718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).