7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide

C35H20N4O4 — CID 166697907

IUPAC7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide
SMILESCN(C(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C=O)c1c62)c53)C(=O)N(c1ccncc1)C4=O)c1ccncc1
InChIInChI=1S/C35H20N4O4/c1-38(20-10-14-36-15-11-20)33(41)26-7-4-23-25-6-9-28-32-27(34(42)39(35(28)43)21-12-16-37-17-13-21)8-5-24(31(25)32)22-3-2-19(18-40)29(26)30(22)23/h2-18H,1H3
InChIKeyWEPSQFQEJNQIEM-UHFFFAOYSA-N
MW560.57 g/mol
LogP6.42
Rot. Bonds4

About 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide

7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide (PubChem CID 166697907) has the molecular formula C35H20N4O4 and a molecular weight of 560.57 g/mol. Its IUPAC name is 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide.

Molecular Properties

Compound Name7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide
PubChem CID166697907
Molecular FormulaC35H20N4O4
Molecular Weight560.57 g/mol
Exact Mass560.15
IUPAC Name7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide
SMILESCN(C(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C=O)c1c62)c53)C(=O)N(c1ccncc1)C4=O)c1ccncc1
InChIInChI=1S/C35H20N4O4/c1-38(20-10-14-36-15-11-20)33(41)26-7-4-23-25-6-9-28-32-27(34(42)39(35(28)43)21-12-16-37-17-13-21)8-5-24(31(25)32)22-3-2-19(18-40)29(26)30(22)23/h2-18H,1H3
InChIKeyWEPSQFQEJNQIEM-UHFFFAOYSA-N
XLogP6.42
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.57
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide with MolForge

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Related Compounds

7,18-dipyridin-4-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 56845802
16-(4-tert-butylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione;methyl 4-[(4-tert-butylphenyl)-methylcarbamoyl]perylene-3-carboxylate
CID 157335089
7,18-bis[4-(dimethylamino)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58203057
methyl 2-[5-formyl-7-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaen-16-yl]acetate
CID 176556750
19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17-trione
CID 166711571
20,22-diacetyl-7-phenyl-7-azanonacyclo[14.12.2.22,5.117,21.03,12.04,9.013,29.026,30.025,31]tritriaconta-1(29),2,4,9,11,13,15,17,19,21,23,25(31),26(30),27,32-pentadecaene-6,8-dione
CID 89377060
N,15,17-triethyl-7-formyl-N-methyl-16-oxo-15,17-diazahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide
CID 167242079
5-[[7-formyl-16-(5-nitroso-5-oxopentyl)-15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carbonyl]-methylamino]pentanoic acid
CID 146616022
N-formyl-N,2-bis(4-hydroxyphenyl)-7-methyl-1,3-dioxobenzo[de]isoquinoline-6-carboxamide
CID 145129335
N-formyl-7-methyl-15,17-dioxo-N,16-bis(2,3,4,5,6-pentafluorophenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide
CID 89318344
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
7-(4-hydroxyphenyl)-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 102111251

Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide?
The IUPAC name of 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide (CID 166697907) is 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide.
What is the SMILES notation for 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide?
The canonical SMILES for 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide is CN(C(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C=O)c1c62)c53)C(=O)N(c1ccncc1)C4=O)c1ccncc1.
What is the InChIKey of 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide?
The InChIKey is WEPSQFQEJNQIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N4O4/c1-38(20-10-14-36-15-11-20)33(41)26-7-4-23-25-6-9-28-32-27(34(42)39(35(28)43)21-12-16-37-17-13-21)8-5-24(31(25)32)22-3-2-19(18-40)29(26)30(22)23/h2-18H,1H3.
What are the key properties of 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide?
7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide has a molecular weight of 560.57 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-methyl-15,17-dioxo-N,16-dipyridin-4-yl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-5-carboxamide is sourced from PubChem (CID 166697907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).