N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C34H28N4O3S — CID 23596193

IUPACN-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5c6ccccc6C4c4ccccc45)n3)n2)c1
InChIInChI=1S/C34H28N4O3S/c1-34(18-26-22-11-3-5-13-24(22)30(34)25-14-6-4-12-23(25)26)32(40)38-33-37-29(19-42-33)27-15-8-16-28(36-27)31(39)35-20-9-7-10-21(17-20)41-2/h3-17,19,26,30H,18H2,1-2H3,(H,35,39)(H,37,38,40)
InChIKeyFHDDGACINUFTGH-UHFFFAOYSA-N
MW572.69 g/mol
LogP7.09
Rot. Bonds6

About N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide

N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 23596193) has the molecular formula C34H28N4O3S and a molecular weight of 572.69 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID23596193
Molecular FormulaC34H28N4O3S
Molecular Weight572.69 g/mol
Exact Mass572.19
IUPAC NameN-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5c6ccccc6C4c4ccccc45)n3)n2)c1
InChIInChI=1S/C34H28N4O3S/c1-34(18-26-22-11-3-5-13-24(22)30(34)25-14-6-4-12-23(25)26)32(40)38-33-37-29(19-42-33)27-15-8-16-28(36-27)31(39)35-20-9-7-10-21(17-20)41-2/h3-17,19,26,30H,18H2,1-2H3,(H,35,39)(H,37,38,40)
InChIKeyFHDDGACINUFTGH-UHFFFAOYSA-N
XLogP7.09
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.69
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-(6-methoxynaphthalen-1-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10006257
N-[4-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10053809
N-[4-[3-[(4-methoxy-2-methylphenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10077035
15-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596040
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596185
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596151
(15S)-N-(4-methoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1101019
15-methyl-N-[4-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596103
N-[4-[3-(cyclopentylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596062
N-[4-[3-(benzylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596107
N-[4-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596115
(15R)-N-(2,4-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1298429

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 23596193) is N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide is COc1cccc(NC(=O)c2cccc(-c3csc(NC(=O)C4(C)CC5c6ccccc6C4c4ccccc45)n3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is FHDDGACINUFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O3S/c1-34(18-26-22-11-3-5-13-24(22)30(34)25-14-6-4-12-23(25)26)32(40)38-33-37-29(19-42-33)27-15-8-16-28(36-27)31(39)35-20-9-7-10-21(17-20)41-2/h3-17,19,26,30H,18H2,1-2H3,(H,35,39)(H,37,38,40).
What are the key properties of N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 572.69 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 23596193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).