5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide

C28H40N2O3 — CID 170363716

IUPAC5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide
SMILESCOC1C[C@H]2[C@@H]3CC[C@H]([C@H](C)Oc4cncc(C(N)=O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3CC132
InChIInChI=1S/C28H40N2O3/c1-16(33-19-11-17(25(29)31)14-30-15-19)21-5-6-22-20-12-24(32-4)28-13-18(28)7-10-27(28,3)23(20)8-9-26(21,22)2/h11,14-16,18,20-24H,5-10,12-13H2,1-4H3,(H2,29,31)/t16-,18+,20-,21+,22-,23-,24?,26+,27+,28?/m0/s1
InChIKeyFCMUDWGQQHUFNL-XEWHJKJVSA-N
MW452.64 g/mol
LogP5.23
Rot. Bonds5

About 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide

5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide (PubChem CID 170363716) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide
PubChem CID170363716
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC Name5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide
SMILESCOC1C[C@H]2[C@@H]3CC[C@H]([C@H](C)Oc4cncc(C(N)=O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3CC132
InChIInChI=1S/C28H40N2O3/c1-16(33-19-11-17(25(29)31)14-30-15-19)21-5-6-22-20-12-24(32-4)28-13-18(28)7-10-27(28,3)23(20)8-9-26(21,22)2/h11,14-16,18,20-24H,5-10,12-13H2,1-4H3,(H2,29,31)/t16-,18+,20-,21+,22-,23-,24?,26+,27+,28?/m0/s1
InChIKeyFCMUDWGQQHUFNL-XEWHJKJVSA-N
XLogP5.23
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]-3-pyridinyl]methanol
CID 169312013
[5-[1-[(1S,2R,5R,7S,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]-3-pyridinyl]methanol
CID 170306018
[(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
(2S)-2-[(1S,2R,7R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propanal
CID 169312068
(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
[(2R,3S)-3-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-1-oxobutan-2-yl] acetate
CID 10982621
(1R,2S)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]-1-[(2S)-oxiran-2-yl]propan-1-ol
CID 11760911
1-[(2R)-2-[(1R)-1-[(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]ethyl]cyclopropyl]-2-methylpropan-1-one
CID 101323729
5-[(3R)-3-[(1S,2R,5R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]butyl]pyrimidine
CID 169312505
(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

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide?
The IUPAC name of 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide (CID 170363716) is 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide is COC1C[C@H]2[C@@H]3CC[C@H]([C@H](C)Oc4cncc(C(N)=O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3CC132.
What is the InChIKey of 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide?
The InChIKey is FCMUDWGQQHUFNL-XEWHJKJVSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-16(33-19-11-17(25(29)31)14-30-15-19)21-5-6-22-20-12-24(32-4)28-13-18(28)7-10-27(28,3)23(20)8-9-26(21,22)2/h11,14-16,18,20-24H,5-10,12-13H2,1-4H3,(H2,29,31)/t16-,18+,20-,21+,22-,23-,24?,26+,27+,28?/m0/s1.
What are the key properties of 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide?
5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide has a molecular weight of 452.64 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(1S,2R,5R,10S,11S,14S,15S)-8-methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]ethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 170363716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).