7-(3-ethoxypropyl)-6-imino-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

C23H24N6O3 — CID 2927414

IUPAC7-(3-ethoxypropyl)-6-imino-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
SMILES[H]/N=c1\c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1CCCOCC
InChIInChI=1S/C23H24N6O3/c1-2-32-12-6-11-29-20(24)17(22(30)26-15-16-7-5-9-25-14-16)13-18-21(29)27-19-8-3-4-10-28(19)23(18)31/h3-5,7-10,13-14,24H,2,6,11-12,15H2,1H3,(H,26,30)/b24-20+
InChIKeyNAEFIPNANAYWAS-HIXSDJFHSA-N
MW432.48 g/mol
LogP1.88
Rot. Bonds8

About 7-(3-ethoxypropyl)-6-imino-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

7-(3-ethoxypropyl)-6-imino-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 (PubChem CID 2927414) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-(3-ethoxypropyl)-6-imino-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.

Molecular Properties

Compound Name7-(3-ethoxypropyl)-6-imino-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
PubChem CID2927414
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name7-(3-ethoxypropyl)-6-imino-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
SMILES[H]/N=c1\c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1CCCOCC
InChIInChI=1S/C23H24N6O3/c1-2-32-12-6-11-29-20(24)17(22(30)26-15-16-7-5-9-25-14-16)13-18-21(29)27-19-8-3-4-10-28(19)23(18)31/h3-5,7-10,13-14,24H,2,6,11-12,15H2,1H3,(H,26,30)/b24-20+
InChIKeyNAEFIPNANAYWAS-HIXSDJFHSA-N
XLogP1.88
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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CID 646508
2-Imino-10-methyl-5-oxo-1-(3-pyridinylmethyl)-N-(tetrahydro-2-furanylmet hyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 652081
Pelrinone
CID 135413516
1-Ethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 651452
2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
2-Imino-8-methyl-10-oxo-1-(tetrahydro-furan-2-ylmethyl)-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 3151315
7-Methyl-2-morpholin-4-yl-9-(pyridin-2-ylmethylamino)pyrido[1,2-a]pyrimidin-4-one
CID 10066542
7-Methyl-2-morpholin-4-yl-9-(pyridin-4-ylmethylamino)pyrido[1,2-a]pyrimidin-4-one
CID 23586721
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
N-Cyclohexyl-1-butyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157661
Methyl 2-imino-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxylate
CID 1077411
2-Imino-10-methyl-N-(2-(4-morpholinyl)ethyl)-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 1309471

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethoxypropyl)-6-imino-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?
The IUPAC name of 7-(3-ethoxypropyl)-6-imino-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 2927414) is 7-(3-ethoxypropyl)-6-imino-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.
What is the SMILES notation for 7-(3-ethoxypropyl)-6-imino-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?
The canonical SMILES for 7-(3-ethoxypropyl)-6-imino-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 is [H]/N=c1\c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1CCCOCC.
What is the InChIKey of 7-(3-ethoxypropyl)-6-imino-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?
The InChIKey is NAEFIPNANAYWAS-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-2-32-12-6-11-29-20(24)17(22(30)26-15-16-7-5-9-25-14-16)13-18-21(29)27-19-8-3-4-10-28(19)23(18)31/h3-5,7-10,13-14,24H,2,6,11-12,15H2,1H3,(H,26,30)/b24-20+.
What are the key properties of 7-(3-ethoxypropyl)-6-imino-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?
7-(3-ethoxypropyl)-6-imino-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 has a molecular weight of 432.48 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethoxypropyl)-6-imino-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 is sourced from PubChem (CID 2927414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).