7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C23H29N5O2 — CID 123437685

IUPAC7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILESC/N=c1\c(C(=O)N(C)C)cc2c(=O)n3ccccc3nc2n1CC1CCCCCC1
InChIInChI=1S/C23H29N5O2/c1-24-20-17(22(29)26(2)3)14-18-21(25-19-12-8-9-13-27(19)23(18)30)28(20)15-16-10-6-4-5-7-11-16/h8-9,12-14,16H,4-7,10-11,15H2,1-3H3/b24-20+
InChIKeyKJGLNASJWGTIKF-HIXSDJFHSA-N
MW407.52 g/mol
LogP2.85
Rot. Bonds3

About 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 123437685) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID123437685
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILESC/N=c1\c(C(=O)N(C)C)cc2c(=O)n3ccccc3nc2n1CC1CCCCCC1
InChIInChI=1S/C23H29N5O2/c1-24-20-17(22(29)26(2)3)14-18-21(25-19-12-8-9-13-27(19)23(18)30)28(20)15-16-10-6-4-5-7-11-16/h8-9,12-14,16H,4-7,10-11,15H2,1-3H3/b24-20+
InChIKeyKJGLNASJWGTIKF-HIXSDJFHSA-N
XLogP2.85
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 123437685) is 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C/N=c1\c(C(=O)N(C)C)cc2c(=O)n3ccccc3nc2n1CC1CCCCCC1.
What is the InChIKey of 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is KJGLNASJWGTIKF-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-24-20-17(22(29)26(2)3)14-18-21(25-19-12-8-9-13-27(19)23(18)30)28(20)15-16-10-6-4-5-7-11-16/h8-9,12-14,16H,4-7,10-11,15H2,1-3H3/b24-20+.
What are the key properties of 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cycloheptylmethyl)-N,N-dimethyl-6-methylimino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 123437685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).