7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide

C31H40N2O — CID 90995274

IUPAC7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide
SMILESCC1=CCC(C)c2ncccc2C=C1C(=O)NCc1ccc(C2CCCCCC(C)CC2)cc1
InChIInChI=1S/C31H40N2O/c1-22-8-5-4-6-9-26(16-11-22)27-17-14-25(15-18-27)21-33-31(34)29-20-28-10-7-19-32-30(28)24(3)13-12-23(29)2/h7,10,12,14-15,17-20,22,24,26H,4-6,8-9,11,13,16,21H2,1-3H3,(H,33,34)
InChIKeyAXDYIIBMBJRCPD-UHFFFAOYSA-N
MW456.67 g/mol
LogP7.70
Rot. Bonds4

About 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide

7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide (PubChem CID 90995274) has the molecular formula C31H40N2O and a molecular weight of 456.67 g/mol. Its IUPAC name is 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide
PubChem CID90995274
Molecular FormulaC31H40N2O
Molecular Weight456.67 g/mol
Exact Mass456.31
IUPAC Name7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide
SMILESCC1=CCC(C)c2ncccc2C=C1C(=O)NCc1ccc(C2CCCCCC(C)CC2)cc1
InChIInChI=1S/C31H40N2O/c1-22-8-5-4-6-9-26(16-11-22)27-17-14-25(15-18-27)21-33-31(34)29-20-28-10-7-19-32-30(28)24(3)13-12-23(29)2/h7,10,12,14-15,17-20,22,24,26H,4-6,8-9,11,13,16,21H2,1-3H3,(H,33,34)
InChIKeyAXDYIIBMBJRCPD-UHFFFAOYSA-N
XLogP7.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide with MolForge

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Related Compounds

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2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
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5-(4-cyclohexylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
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2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
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N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
[4-[[(1R,3S)-3-(3-methyl-2-pyridinyl)cyclohexyl]amino]phenyl]methylurea
CID 124725983
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904

Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide?
The IUPAC name of 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide (CID 90995274) is 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide.
What is the SMILES notation for 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide?
The canonical SMILES for 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide is CC1=CCC(C)c2ncccc2C=C1C(=O)NCc1ccc(C2CCCCCC(C)CC2)cc1.
What is the InChIKey of 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide?
The InChIKey is AXDYIIBMBJRCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O/c1-22-8-5-4-6-9-26(16-11-22)27-17-14-25(15-18-27)21-33-31(34)29-20-28-10-7-19-32-30(28)24(3)13-12-23(29)2/h7,10,12,14-15,17-20,22,24,26H,4-6,8-9,11,13,16,21H2,1-3H3,(H,33,34).
What are the key properties of 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide?
7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide has a molecular weight of 456.67 g/mol, XLogP of 7.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-N-[[4-(4-methylcyclononyl)phenyl]methyl]-9,10-dihydrocycloocta[b]pyridine-6-carboxamide is sourced from PubChem (CID 90995274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).