N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

C22H21N3O — CID 18847635

IUPACN-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3nc4c(nc3c2)C2CCC4C2)c1
InChIInChI=1S/C22H21N3O/c1-12-7-13(2)9-17(8-12)23-22(26)16-5-6-18-19(11-16)25-21-15-4-3-14(10-15)20(21)24-18/h5-9,11,14-15H,3-4,10H2,1-2H3,(H,23,26)
InChIKeyDXFBPZYWCRSMMA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.86
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (PubChem CID 18847635) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
PubChem CID18847635
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3nc4c(nc3c2)C2CCC4C2)c1
InChIInChI=1S/C22H21N3O/c1-12-7-13(2)9-17(8-12)23-22(26)16-5-6-18-19(11-16)25-21-15-4-3-14(10-15)20(21)24-18/h5-9,11,14-15H,3-4,10H2,1-2H3,(H,23,26)
InChIKeyDXFBPZYWCRSMMA-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847714
N-(4-propan-2-ylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847662
(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide
CID 99984982
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847721
N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847694
N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847653
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
N-(1-methoxypropan-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847603
2,3-dimethyl-N-(5-methyl-3-pyridinyl)quinoxaline-6-carboxamide
CID 110744358
4-[(4-cyclohexylquinazolin-2-yl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 174721221
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182
4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
CID 26016677

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (CID 18847635) is N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc3nc4c(nc3c2)C2CCC4C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The InChIKey is DXFBPZYWCRSMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-12-7-13(2)9-17(8-12)23-22(26)16-5-6-18-19(11-16)25-21-15-4-3-14(10-15)20(21)24-18/h5-9,11,14-15H,3-4,10H2,1-2H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is sourced from PubChem (CID 18847635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).