7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C19H23N5O3 — CID 3151354

IUPAC7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc2n1CC
InChIInChI=1S/C19H23N5O3/c1-4-23-16(20)13(18(25)21-8-5-9-27-3)10-14-17(23)22-15-7-6-12(2)11-24(15)19(14)26/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,21,25)/b20-16+
InChIKeyIPBWUWHANZEVOF-CAPFRKAQSA-N
MW369.43 g/mol
LogP1.22
Rot. Bonds6

About 7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 3151354) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-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-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID3151354
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc2n1CC
InChIInChI=1S/C19H23N5O3/c1-4-23-16(20)13(18(25)21-8-5-9-27-3)10-14-17(23)22-15-7-6-12(2)11-24(15)19(14)26/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,21,25)/b20-16+
InChIKeyIPBWUWHANZEVOF-CAPFRKAQSA-N
XLogP1.22
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151326
7-[(2S)-butan-2-yl]-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 98124408
7-butan-2-yl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151507
7-butyl-6-imino-N-(2-methoxyethyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3371335
N-benzyl-6-imino-7-(2-methoxyethyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151408
methyl 6-imino-13-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 1077494
6-imino-13-methyl-2-oxo-N-(2-phenylethyl)-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3364796
6-imino-13-methyl-7-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3364807
methyl 6-imino-13-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
CID 706383
N-cyclopentyl-7-hexyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3372195
7-hexyl-6-imino-13-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3372116
N-cyclohexyl-6-imino-13-methyl-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 5160755

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-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-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 3151354) is 7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-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-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-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-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is [H]/N=c1\c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc2n1CC.
What is the InChIKey of 7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is IPBWUWHANZEVOF-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-23-16(20)13(18(25)21-8-5-9-27-3)10-14-17(23)22-15-7-6-12(2)11-24(15)19(14)26/h6-7,10-11,20H,4-5,8-9H2,1-3H3,(H,21,25)/b20-16+.
What are the key properties of 7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-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 369.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-imino-N-(3-methoxypropyl)-13-methyl-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 3151354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).