4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide

C26H32N6O2 — CID 55725700

IUPAC4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c2nc3n(c2n1)CCCCC3
InChIInChI=1S/C26H32N6O2/c1-18-16-21(23-24(28-18)32-11-5-3-4-6-22(32)29-23)25(33)27-17-19-7-9-20(10-8-19)26(34)31-14-12-30(2)13-15-31/h7-10,16H,3-6,11-15,17H2,1-2H3,(H,27,33)
InChIKeyRAYYGRASTHJSOD-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide

4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide (PubChem CID 55725700) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
PubChem CID55725700
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c2nc3n(c2n1)CCCCC3
InChIInChI=1S/C26H32N6O2/c1-18-16-21(23-24(28-18)32-11-5-3-4-6-22(32)29-23)25(33)27-17-19-7-9-20(10-8-19)26(34)31-14-12-30(2)13-15-31/h7-10,16H,3-6,11-15,17H2,1-2H3,(H,27,33)
InChIKeyRAYYGRASTHJSOD-UHFFFAOYSA-N
XLogP2.78
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 46549855
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 46417236
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraen-6-yl)methanone
CID 55653225
N-(1,3-benzothiazol-2-ylmethyl)-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 36652880
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 46538948
N-[2-(diethylamino)-2-oxoethyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 48503776
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 97311083
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 46604113
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 55781363
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraen-6-yl)methanone
CID 36716903
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 42943031
ethyl 7-[(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)amino]heptanoate
CID 60521795

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The IUPAC name of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide (CID 55725700) is 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide is Cc1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c2nc3n(c2n1)CCCCC3.
What is the InChIKey of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
The InChIKey is RAYYGRASTHJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-18-16-21(23-24(28-18)32-11-5-3-4-6-22(32)29-23)25(33)27-17-19-7-9-20(10-8-19)26(34)31-14-12-30(2)13-15-31/h7-10,16H,3-6,11-15,17H2,1-2H3,(H,27,33).
What are the key properties of 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide?
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide is sourced from PubChem (CID 55725700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).