6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide

C22H27N3O2 — CID 109097432

IUPAC6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NC3CCCCCC3)n2)c1
InChIInChI=1S/C22H27N3O2/c1-16-8-6-9-17(14-16)15-23-21(26)19-12-7-13-20(25-19)22(27)24-18-10-4-2-3-5-11-18/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyWRTVREGCMWZXRH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.77
Rot. Bonds5

About 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide

6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 109097432) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
PubChem CID109097432
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NC3CCCCCC3)n2)c1
InChIInChI=1S/C22H27N3O2/c1-16-8-6-9-17(14-16)15-23-21(26)19-12-7-13-20(25-19)22(27)24-18-10-4-2-3-5-11-18/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyWRTVREGCMWZXRH-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
6-N-cyclohexyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109095286
N-cycloheptyl-2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368740
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158485
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide (CID 109097432) is 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide is Cc1cccc(CNC(=O)c2cccc(C(=O)NC3CCCCCC3)n2)c1.
What is the InChIKey of 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is WRTVREGCMWZXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-8-6-9-17(14-16)15-23-21(26)19-12-7-13-20(25-19)22(27)24-18-10-4-2-3-5-11-18/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide?
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).