6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide

C30H44N2O3 — CID 170306188

IUPAC6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(OCC(C)[C@H]2CC[C@H]3[C@@H]4CC(OC)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C)n1
InChIInChI=1S/C30H44N2O3/c1-18(17-35-26-8-6-7-24(32-26)27(33)31-4)21-9-10-22-20-15-25(34-5)30-16-19(30)11-14-29(30,3)23(20)12-13-28(21,22)2/h6-8,18-23,25H,9-17H2,1-5H3,(H,31,33)/t18?,19-,20+,21-,22+,23+,25?,28-,29-,30+/m1/s1
InChIKeyQGTHKPDNYHGHRN-GNLRTBSRSA-N
MW480.69 g/mol
LogP5.74
Rot. Bonds6

About 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide

6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide (PubChem CID 170306188) has the molecular formula C30H44N2O3 and a molecular weight of 480.69 g/mol. Its IUPAC name is 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide
PubChem CID170306188
Molecular FormulaC30H44N2O3
Molecular Weight480.69 g/mol
Exact Mass480.34
IUPAC Name6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(OCC(C)[C@H]2CC[C@H]3[C@@H]4CC(OC)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C)n1
InChIInChI=1S/C30H44N2O3/c1-18(17-35-26-8-6-7-24(32-26)27(33)31-4)21-9-10-22-20-15-25(34-5)30-16-19(30)11-14-29(30,3)23(20)12-13-28(21,22)2/h6-8,18-23,25H,9-17H2,1-5H3,(H,31,33)/t18?,19-,20+,21-,22+,23+,25?,28-,29-,30+/m1/s1
InChIKeyQGTHKPDNYHGHRN-GNLRTBSRSA-N
XLogP5.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.69
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

[(2R)-2-[(1S,2R,5R,7R,8S,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate
CID 99576103
[(2R)-2-[(1S,2R,5R,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate
CID 99576105
[2-[2-[(1S,2R,5R,7S,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-4-pyridinyl]methanol
CID 170306491
(1S,2R,5R,7R,8R,10S,11S,14R,15S)-14-[(2S)-1-iodopropan-2-yl]-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 11070488
(2S)-2-[(1S,2R,5R,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propan-1-ol
CID 15593576
(4R)-4-[(1S,2R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]pentanoic acid
CID 66861137
2-[(3R)-3-[(1S,2R,5R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]butyl]pyridine
CID 169312491
(1S,2R,5R,7R,8S,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 92526652
(4R)-4-[(1S,2R,5S,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]pentan-1-ol
CID 22841273
(2S,6R)-6-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-2-methylheptanoic acid
CID 23583066
[2-[(3R)-3-[(1S,2R,5R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]butyl]-3-pyridinyl]methanol
CID 169312592
14-(5,6-dimethylheptan-2-yl)-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
CID 72802826

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide (CID 170306188) is 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(OCC(C)[C@H]2CC[C@H]3[C@@H]4CC(OC)[C@]56C[C@H]5CC[C@]6(C)[C@H]4CC[C@]23C)n1.
What is the InChIKey of 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is QGTHKPDNYHGHRN-GNLRTBSRSA-N. The full InChI is InChI=1S/C30H44N2O3/c1-18(17-35-26-8-6-7-24(32-26)27(33)31-4)21-9-10-22-20-15-25(34-5)30-16-19(30)11-14-29(30,3)23(20)12-13-28(21,22)2/h6-8,18-23,25H,9-17H2,1-5H3,(H,31,33)/t18?,19-,20+,21-,22+,23+,25?,28-,29-,30+/m1/s1.
What are the key properties of 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide?
6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 480.69 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(1S,2R,5R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170306188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).