15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C30H26N2O2 — CID 23595987

IUPAC15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2ncccc2OCc2ccccc2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C30H26N2O2/c1-30(18-25-21-12-5-7-14-23(21)27(30)24-15-8-6-13-22(24)25)29(33)32-28-26(16-9-17-31-28)34-19-20-10-3-2-4-11-20/h2-17,25,27H,18-19H2,1H3,(H,31,32,33)
InChIKeyUCJWWFYHQGCBEU-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.29
Rot. Bonds5

About 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23595987) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23595987
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCC1(C(=O)Nc2ncccc2OCc2ccccc2)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C30H26N2O2/c1-30(18-25-21-12-5-7-14-23(21)27(30)24-15-8-6-13-22(24)25)29(33)32-28-26(16-9-17-31-28)34-19-20-10-3-2-4-11-20/h2-17,25,27H,18-19H2,1H3,(H,31,32,33)
InChIKeyUCJWWFYHQGCBEU-UHFFFAOYSA-N
XLogP6.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide
CID 139789926
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
CID 11674430
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid
CID 23596279
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413

Frequently Asked Questions

What is the IUPAC name of 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23595987) is 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CC1(C(=O)Nc2ncccc2OCc2ccccc2)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is UCJWWFYHQGCBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-30(18-25-21-12-5-7-14-23(21)27(30)24-15-8-6-13-22(24)25)29(33)32-28-26(16-9-17-31-28)34-19-20-10-3-2-4-11-20/h2-17,25,27H,18-19H2,1H3,(H,31,32,33).
What are the key properties of 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-N-(3-phenylmethoxy-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23595987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).