9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide

C17H20N6O — CID 24852178

IUPAC9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide
SMILESCC(C)NC(=O)N1CC(C)n2c1nc1c(N)nc3ccccc3c12
InChIInChI=1S/C17H20N6O/c1-9(2)19-17(24)22-8-10(3)23-14-11-6-4-5-7-12(11)20-15(18)13(14)21-16(22)23/h4-7,9-10H,8H2,1-3H3,(H2,18,20)(H,19,24)
InChIKeyULGXLAPNXXNRIP-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.67
Rot. Bonds1

About 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide

9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide (PubChem CID 24852178) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide.

Molecular Properties

Compound Name9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide
PubChem CID24852178
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide
SMILESCC(C)NC(=O)N1CC(C)n2c1nc1c(N)nc3ccccc3c12
InChIInChI=1S/C17H20N6O/c1-9(2)19-17(24)22-8-10(3)23-14-11-6-4-5-7-12(11)20-15(18)13(14)21-16(22)23/h4-7,9-10H,8H2,1-3H3,(H2,18,20)(H,19,24)
InChIKeyULGXLAPNXXNRIP-UHFFFAOYSA-N
XLogP2.67
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 24852290
13,16-dimethyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 69194624
2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 143258780
(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol
CID 58406179
1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea
CID 154013039
tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate
CID 86619532
N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
CID 23512692
1-(4-amino-2-pyrrolidin-1-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 58421827
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
N-[4-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]butan-2-yl]-1-methylcyclohexane-1-carboxamide
CID 121363259
N-[3-[(16S)-9-amino-14-methylsulfonyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]propyl]methanesulfonamide
CID 11641010
9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid
CID 66958498

Frequently Asked Questions

What is the IUPAC name of 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide?
The IUPAC name of 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide (CID 24852178) is 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide.
What is the SMILES notation for 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide?
The canonical SMILES for 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide is CC(C)NC(=O)N1CC(C)n2c1nc1c(N)nc3ccccc3c12.
What is the InChIKey of 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide?
The InChIKey is ULGXLAPNXXNRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-9(2)19-17(24)22-8-10(3)23-14-11-6-4-5-7-12(11)20-15(18)13(14)21-16(22)23/h4-7,9-10H,8H2,1-3H3,(H2,18,20)(H,19,24).
What are the key properties of 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide?
9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide is sourced from PubChem (CID 24852178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).